Chemical Analysis Metadata Platform (ChAMP) Ontology version 0.2
type: Ontology
version info: 0.2
Source: http://champ-project.org
date: 2015-04-29
Contributor: Antony Williams
Format: OWL-DL
creator: Stuart Chalk
description: The Chemical Analysis Ontology (CAO) is an ontology developed as part of the Chemical Analaysis Metadata Project (ChAMP) as a resource to semantically annotate standards developed using the ChAMP platform. For more information go to http://champ-project.org.
license: http://creativecommons.org/licenses/by/3.0/

hasAcronym
type: AnnotationProperty
id: CAO_000050

definition
type: AnnotationProperty

term editor
type: AnnotationProperty

definition source
type: AnnotationProperty

Contributor
type: AnnotationProperty
comment: An entity responsible for making contributions to the content of the resource.
description: Examples of a Contributor include a person, an organisation, or a service. Typically, the name of a Contributor should be used to indicate the entity.

Coverage
type: AnnotationProperty
description: Coverage will typically include spatial location (a place name or geographic coordinates), temporal period (a period label, date, or date range) or jurisdiction (such as a named administrative entity). Recommended best practice is to select a value from a controlled vocabulary (for example, the Thesaurus of Geographic Names [TGN]) and that, where appropriate, named places or time periods be used in preference to numeric identifiers such as sets of coordinates or date ranges.
comment: The extent or scope of the content of the resource.

Creator
type: AnnotationProperty
comment: An entity primarily responsible for making the content of the resource.
description: Examples of a Creator include a person, an organisation, or a service. Typically, the name of a Creator should be used to indicate the entity.

Date
type: AnnotationProperty
comment: A date associated with an event in the life cycle of the resource.
description: Typically, Date will be associated with the creation or availability of the resource. Recommended best practice for encoding the date value is defined in a profile of ISO 8601 [W3CDTF] and follows the YYYY-MM-DD format.

Description
type: AnnotationProperty
comment: An account of the content of the resource.
description: Description may include but is not limited to: an abstract, table of contents, reference to a graphical representation of content or a free-text account of the content.

Format
type: AnnotationProperty
comment: The physical or digital manifestation of the resource.
description: Typically, Format may include the media-type or dimensions of the resource. Format may be used to determine the software, hardware or other equipment needed to display or operate the resource. Examples of dimensions include size and duration. Recommended best practice is to select a value from a controlled vocabulary (for example, the list of Internet Media Types [MIME] defining computer media formats).

Resource Identifier
type: AnnotationProperty
comment: An unambiguous reference to the resource within a given context.
description: Recommended best practice is to identify the resource by means of a string or number conforming to a formal identification system. Example formal identification systems include the Uniform Resource Identifier (URI) (including the Uniform Resource Locator (URL)), the Digital Object Identifier (DOI) and the International Standard Book Number (ISBN).

Language
type: AnnotationProperty
comment: A language of the intellectual content of the resource.
description: Recommended best practice is to use RFC 3066 [RFC3066], which, in conjunction with ISO 639 [ISO639], defines two- and three-letter primary language tags with optional subtags. Examples include "en" or "eng" for English, "akk" for Akkadian, and "en-GB" for English used in the United Kingdom.

Publisher
type: AnnotationProperty
comment: An entity responsible for making the resource available
description: Examples of a Publisher include a person, an organisation, or a service. Typically, the name of a Publisher should be used to indicate the entity.

Relation
type: AnnotationProperty
description: Recommended best practice is to reference the resource by means of a string or number conforming to a formal identification system.
comment: A reference to a related resource.

Rights Management
type: AnnotationProperty
description: Typically, a Rights element will contain a rights management statement for the resource, or reference a service providing such information. Rights information often encompasses Intellectual Property Rights (IPR), Copyright, and various Property Rights. If the Rights element is absent, no assumptions can be made about the status of these and other rights with respect to the resource.
comment: Information about rights held in and over the resource.

Source
type: AnnotationProperty
comment: A reference to a resource from which the present resource is derived.
description: The present resource may be derived from the Source resource in whole or in part. Recommended best practice is to reference the resource by means of a string or number conforming to a formal identification system.

Subject and Keywords
type: AnnotationProperty
comment: The topic of the content of the resource.
description: Typically, a Subject will be expressed as keywords, key phrases or classification codes that describe a topic of the resource. Recommended best practice is to select a value from a controlled vocabulary or formal classification scheme.

Title
type: AnnotationProperty
description: Typically, a Title will be a name by which the resource is formally known.
comment: A name given to the resource.

Resource Type
type: AnnotationProperty
comment: The nature or genre of the content of the resource.
description: Type includes terms describing general categories, functions, genres, or aggregation levels for content. Recommended best practice is to select a value from a controlled vocabulary (for example, the DCMI Type Vocabulary [DCMITYPE]). To describe the physical or digital manifestation of the resource, use the Format element.

id
type: AnnotationProperty

is Classification
type: ObjectProperty
sub property of: topObjectProperty

determines concentration of
type: ObjectProperty
id: CAO_000222
range: Chemical substance class
domain: Quantitative analysis
sub property of: has analyte
range: Chemical substance

detects presence of
type: ObjectProperty
id: CAO_000223
domain: Functional group test
domain: Qualitative analysis
sub property of: has analyte
range: Functional group
range: Chemical substance

measures property of
type: ObjectProperty
id: CAO_000226
domain: Chemical analysis
range: Chemical system entity
range: Biological system entity
sub property of: has analyte

determines amount of
type: ObjectProperty
id: CAO_000227
range: Chemical substance class
domain: Quantitative analysis
sub property of: has analyte
range: Chemical substance

is chemical descriptor of
type: ObjectProperty
id: CAO_000228
domain: SMILES string
domain: Molecular formula
domain: Molecular entity name
domain: InChIKey
domain: functional group
domain: IUPAC name
domain: InChI
sub property of: is descriptor of
range: Chemical substance

is analyte type
type: ObjectProperty
id: CAO_000229
range: Chemical substance class
range: Chemical system entity
range: Biological system entity
range: Chemical substance

has descriptor
type: ObjectProperty
id: CAO_000230
sub property of: is analyte type

has chemical descriptor
type: ObjectProperty
id: CAO_000231
sub property of: has descriptor
domain: Chemical entity
range: Chemical descriptor

has many
type: ObjectProperty
sub property of: topObjectProperty

has analyte
type: ObjectProperty
id: CHMO_0002748
range: Chemical substance class
range: Functional group
range: Chemical substance

inheres in
type: ObjectProperty

realized in
type: ObjectProperty
id: BFO_0000054

realizes
type: ObjectProperty
id: BFO_0000055

has role
type: ObjectProperty
id: BFO_0000087
range: Role

is about
type: ObjectProperty
id: IAO_0000136

is descriptor of
type: ObjectProperty
id: CHEMINF_000143
sub property of: is about

has identifier
type: ObjectProperty
id: SIO_000671

is identifier for
type: ObjectProperty
id: SIO_000672
sub property of: is about

has unique identifier
type: ObjectProperty
id: SIO_000673
sub property of: has identifier

is unique identifier for
type: ObjectProperty
id: SIO_000674
domain: InChIKey
domain: InChI
range: Chemical substance
sub property of: is identifier for

hasValue
type: DatatypeProperty
id: CHEMINF_000012
domain: Information content entity
range: Literal

Metadata category
type: Class
subclass of: ChAMP Category
id: CAO_000001
definition: Category of metadata about a 'ChAMP based' data package not about the chemical analysis described therein
term editor: Person: Stuart Chalk

Description category
type: Class
subclass of: ChAMP Category
id: CAO_000002
definition: General, descriptive information that characterises a chemical analysis
term editor: Person: Stuart Chalk

Infrastructure category
type: Class
subclass of: ChAMP Category
id: CAO_000003
definition: Information describing the people who are responsible for the analysis and place(s) where it occured
term editor: Person: Stuart Chalk

Analyte category
type: Class
subclass of: ChAMP Category
comment: Analyte is used here as a more general term to represent the thing(s) that are determined in the analysis. Includes classes of compounds, physical properties, functional groups etc. Is there a better term?
id: CAO_000004
definition: Information describing a the analyte(s) determined in a chemical analysis
term editor: Person: Stuart Chalk

Sample category
type: Class
subclass of: ChAMP Category
id: CAO_000005
definition: Information describing a sample (and how it is sampled) that is analyzed in a chemical analysis
term editor: Person: Stuart Chalk

Sample preparation category
type: Class
subclass of: ChAMP Category
id: CAO_000006
term editor: Person: Stuart Chalk
definition: Process(es) by which a sample is prepared for chemical analysis

Technique category
type: Class
subclass of: ChAMP Category
id: CAO_000007
definition: Information about the analytical technique and/or instrumentation used to perform the chemical analysis
term editor: Person: Stuart Chalk

Quality category
type: Class
subclass of: ChAMP Category
id: CAO_000008
definition: Information that indicates the quality (appropriateness) of the chemical analysis for its intended application
term editor: Person: Stuart Chalk

Concept category
type: Class
subclass of: ChAMP Category
definition: Abstract concepts important to the chemical analysis described
id: CAO_000009
term editor: Person: Stuart Chalk

Chemical analysis
type: Class
subclass of: Concept
id: CAO_000010
term editor: Person: Stuart Chalk
definition: The process of determining the presence/absence and/or concentration of one or more chemical substances in a sample material

Analytical technique
type: Class
subclass of: Concept
definition: An analytical technique is a method that is used to determine the concentration, detect the presence, or structure of a chemical entity
id: CAO_000011
definition source: Derived from http://en.wikipedia.org/wiki/Analytical_technique
term editor: Person: Stuart Chalk

Application process
type: Class
subclass of: Chemical analysis process
id: CAO_000012
term editor: Person: Stuart Chalk
definition: The situation that the chemical analysis process is been developed for use in

Person role
type: Class
subclass of: Role
id: CAO_000013
term editor: Person: Stuart Chalk
definition: The role a person plays in a chemical analysis

Chemical substance class
type: Class
subclass of: Chemical entity
id: CAO_000014
definition: Named general group of chemical substances identified as a specific class by structure, use, size, or action
term editor: Person: Stuart Chalk

Bulk property
type: Class
subclass of: Quality
definition: A property of a bulk material
id: CAO_000015
has exact synonym: Material property
term editor: Person: Stuart Chalk

Physical property
type: Class
subclass of: Quality
id: CAO_000016
term editor: Person: Stuart Chalk
definition: Properties (qualities) that exist for all material entities existing in physical space

Chemical state property
type: Class
subclass of: Quality
has exact synonym: Analyzed form
definition: As opposed to physical state of matter, the chemical state is considered as the nature of a chemical substance relative to existing conditions and chemical processes acting on the substance
id: CAO_000017
term editor: Person: Stuart Chalk

Matrix
type: Class
equivalent class: Matrix
equivalent class: Class
  intersection of: Chemical entity
  intersection of: Restriction
    on property: has role
    some values from: Matrix role
subclass of: Concept
subclass of: Restriction
  on property: has role
  some values from: Matrix role
id: CAO_000018
term editor: Person: Stuart Chalk
definition: The material within which one or more chemical substances is being determined. In other words, all the chemical substance in a material other than those being determined in a chemical analysis procedure.

Sensitivity
type: Class
equivalent class: Sensitivity
subclass of: Concept
id: CAO_000019
definition: In chemical analysis sensitivity refers to the magnitude of signal an instrument gives relative to its concentration. If a method has better sensitivity than another it produces a bigger signal for the same concentration and thus, generally, the analysis produces a more precise estimate of an analytes concentration.
term editor: Person: Stuart Chalk

Chromatographic separation
type: Class
subclass of: Analytical separation process
definition: A physical method of separation in which the components to be separated are distributed between two phases, one of which is stationary (stationary phase) while the other (the mobile phase) moves in a definite direction. Performed as part of chemical analysis procedure (not preparative procedure).
id: CAO_000020
term editor: IUPAC
definition source: http://dx.doi.org/10.1351/goldbook.C01075
definition source: http://dx.doi.org/10.1351/pac199365040819

Unique identifier
type: Class
subclass of: Textual entity
id: CAO_000021
term editor: Person: Stuart Chalk
definition: String of characters that uniquely identifies an entity

Sample identifier
type: Class
subclass of: Unique identifier
subclass of: Sample property
definition: A string used to identifiy a sample
id: CAO_000022
term editor: Person: Stuart Chalk

Chemical identifier
type: Class
subclass of: Unique identifier
definition: A string used to identify a chemical entity
id: CAO_000023
term editor: Person: Stuart Chalk

Amount of substance
type: Class
subclass of: Chemical property
definition: Base quantity in the system of quantities upon which SI is based. It is the number of elementary entities divided by the Avogadro constant. Since it is proportional to the number of entities, the proportionality constant being the reciprocal Avogadro constant and the same for all substances, it has to be treated almost identically with the number of entities. Thus the counted elementary entities must always be specified. The words 'of substance' may be replaced by the specification of the entity, for example: amount of chlorine atoms, nCl, amount of chlorine molecules, nCl2. No specification of the entity might lead to ambiguities [amount of sulfur could stand for nS, nS8, etc.], but in many cases the implied entity is assumed to be known: for molecular compounds it is usually the molecule [e.g. amount of benzene usually means n C6H6], for ionic compounds the simplest formula unit [e.g. amount of sodium chloride usually means nNaCl] and for metals the atom [e.g. amount of silver usually stands for nAg]. In some derived quantities the words 'of substance' are also omitted, e.g. amount concentration, amount fraction. Thus in many cases the name of the base quantity is shortened to amount and to avoid possible confusion with the general meaning of the word the attribute chemical is added. The chemical amount is hence the alternative name for amount of substance. In the field of clinical chemistry the words 'of substance' should not be omitted and abbreviations such as substance concentration (for amount of substance concentration) and substance fraction are in use. The quantity had no name prior to 1969 and was simply referred to as the number of moles.
id: CAO_000024
definition source: Green Book, 2nd ed.: IUPAC Quantities, Units and Symbols in Physical Chemistry. Second Edition, Blackwell Scientific Publications, Oxford, 1993.
term editor: IUPAC
has exact synonym: Number of moles
definition source: http://dx.doi.org/10.1351/goldbook.A00297

Sample aggregation
type: Class
subclass of: Field sampling process
id: CAO_000025
term editor: Person: Stuart Chalk
definition: The process of bringing together multiple portions of material sampled from different locations into one homogenized material

Homogeneity
type: Class
subclass of: Bulk property
id: CAO_000026
term editor: IUPAC
definition: The degree to which a property or a constituent is uniformly distributed throughout a quantity of material. A material may be homogeneous with respect to one analyte or property but heterogeneous with respect to another. The degree of heterogeneity (the opposite of homogeneity) is the determining factor of sampling error.
definition source: http://dx.doi.org/10.1351/goldbook.H02845
definition source: http://dx.doi.org/10.1351/pac199062061193

Sample collection
type: Class
subclass of: Event
id: CAO_000027
definition: Collection of a representative sample from a population prior to a chemical analysis. This can be specific event or a reference to a research trip.
term editor: Person: Stuart Chalk

Depth
type: Class
subclass of: Elevation
id: CAO_000028
term editor: Person: Stuart Chalk
definition: The position of a material entity relative to sea-level and closer to earths center

Altitude
type: Class
subclass of: Elevation
id: CAO_000029
term editor: Person: Stuart Chalk
definition: The position of a material entity relative to sea-level and further away from earths center

Sampling property
type: Class
subclass of: Quality
id: CAO_000030
term editor: Person: Stuart Chalk
definition: Properties of events where a portion of material is taken from a population of material which may or may not be at some geographic location

Sampling protocol
type: Class
subclass of: Protocol
id: CAO_000031
term editor: Person: Stuart Chalk
definition: Written procedure for how to sample a material entity from a population of that entity

Field sampling entity
type: Class
subclass of: Material entity
id: CAO_000032
definition: Equipment that is used in the field in the collection of samples for chemical analysis
term editor: Person: Stuart Chalk

Sample preservation
type: Class
subclass of: Field sampling process
id: CAO_000033
term editor: Person: Stuart Chalk
has exact synonym: Sample stabilization
definition: The addition of chemical substances to stabilize the concentration/amount of the analyte(s) in a field sample for a long enough time period such that accurate results may be obtained.

Sampling role
type: Class
subclass of: Role
id: CAO_000034
term editor: Person: Stuart Chalk
definition: Roles that material entities play as part of sampling process

Stabilizing agent
type: Class
subclass of: Sampling role
id: CAO_000035
definition: Chemical entity that acts as a stabilizing agent for a sample. As a result of its action, the sample concentration of an analyte chemical entity is kept constant for extended period of time, such that it can be analyzed and an accurate estimate of the concentration of the analyte determined.

Sample container
type: Class
subclass of: Field sampling entity
id: CAO_000036
term editor: Person: Stuart Chalk
definition: Vessel used to store a sample after it has been collected. Normally made of glass or plastic. Must be free from labile chemical substances that could potentially contaminate the sample.

Sample property
type: Class
subclass of: Quality
definition: A property or characteristic of sample
id: CAO_000037
term editor: Person: Stuart Chalk

Storage condition
type: Class
subclass of: Sample property
id: CAO_000038
definition: Information about how a sample was stored, e.g. temperature, pressure, atmosphere, light exposure etc.
term editor: Person: Stuart Chalk

Materials category
type: Class
subclass of: ChAMP Category
id: CAO_000039
definition: Materials used to perform a chemical analysis including solutions, chemicals, glassware, and analytical components (e.g. analytical column, SPE cartridge, etc.)
term editor: Person: Stuart Chalk

Sample name
type: Class
subclass of: Sample property
subclass of: Label
definition: A name used to identify a sample
id: CAO_000040
term editor: Person: Stuart Chalk

Subsample identifier
type: Class
subclass of: Unique identifier
definition: A string used to identifiy a subsample
id: CAO_000041
term editor: Person: Stuart Chalk

Sample preparation procedure
type: Class
subclass of: Protocol
id: CAO_000042
definition: Defined process by which a sample is modified in preparation for chemical analysis in order to minimize sample matrix effects on the analyte concentration
term editor: Person: Stuart Chalk

Sample preparation process
type: Class
equivalent class: Sample preparation step
subclass of: Chemical analysis process
id: CAO_000043
definition: Methods by which physical/chemical processing of samples are performed prior to chemical analysis
term editor: Person: Stuart Chalk

Analysis timeframe
type: Class
subclass of: Temporal interval
id: CAO_000044
term editor: Person: Stuart Chalk
definition: The maximum time between sampling and analysis such that the concentration of an determined analyte is deemed accurate, i.e. there has been no degradation of the analyte concentration

Chain of custody record
type: Class
subclass of: Document
id: CAO_000045
definition: Chain of custody is a process that must be followed for evidence to be legally defensible (acceptable to courts and government agencies). It involves these main elements: * The evidence collector properly identifies the evidence. * The evidence collector must be a neutral party who has no personal interest in the test results (e.g., a hospital, clinic, or laboratory staff person). * The evidence collector tamper-proofs and secures evidence at the collection site.
term editor: Person: Stuart Chalk
definition source: http://definitions.uslegal.com/c/chain-of-custody/

Interference
type: Class
equivalent class: Class
  intersection of: Chemical entity
  intersection of: Restriction
    on property: has role
    some values from: Interferent role
subclass of: Concept
subclass of: Restriction
  on property: has role
  some values from: Interferent role
definition: A systematic error in the measure of a signal caused by the presence of concomitants in a sample.
id: CAO_000046
term editor: IUPAC
definition source: http://dx.doi.org/10.1351/goldbook.I03089
definition source: http://dx.doi.org/10.1351/pac198855030553

Concept
type: Class
id: CAO_000047
definition: Chemical analysis concept that represents a process, perspective, or facet, e.g. standard, preconcentration, spike recovery
term editor: Person: Stuart Chalk

Analytical instrument
type: Class
subclass of: Analytical entity
subclass of: Laboratory entity
definition: A device or a combination of devices used to carry out an analytical process. The analytical process is all or part of the analytical procedure that encompasses all steps from the introduction of the sample or the test portion to the production of the result. An analytical instrument may carry out single or multiple analytical procedures. In the latter case it may be selective, i.e. designed to carry out any requested combination of procedures within the set, on each specimen.
id: CAO_000048
term editor: IUPAC
definition source: http://dx.doi.org/10.1351/goldbook.A00333
definition source: http://dx.doi.org/10.1351/pac198961091657

Wet chemical analysis apparatus
type: Class
subclass of: Analytical entity
id: CAO_000049
term editor: Person: Stuart Chalk
definition: Process of chemical analysis that is performed using traditional bench glassware physically manipulated by an analyst

Model number
type: Class
equivalent class: Model number
subclass of: Instrument descriptor
id: CAO_000051
definition: Identifier given by the instrument manufacturer that identifies the type of instrument
term editor: Person: Stuart Chalk

Serial number
type: Class
equivalent class: Serial number
subclass of: Instrument descriptor
id: CAO_000052
term editor: Person: Stuart Chalk
definition: Unique number to identify a specific instrument of an instrument model given by the instrument manufacturer

Control software name
type: Class
equivalent class: Control software name
subclass of: Instrument descriptor
id: CAO_000053
definition: Name of the software used to control an instruments operation
term editor: Person: Stuart Chalk

Control software version
type: Class
equivalent class: Version number
subclass of: Instrument descriptor
id: CAO_000054
term editor: Person: Stuart Chalk
definition: Version of the software used to control an instruments operation

Control software operating system
type: Class
subclass of: Instrument descriptor
id: CAO_000055
definition: Name of the operating system on which the instrument control software runs
term editor: Person: Stuart Chalk

Control software operating system version
type: Class
subclass of: Instrument descriptor
id: CAO_000056
term editor: Person: Stuart Chalk
definition: Version of the operating system on which the instrument control software runs

Analytical instrument accessory
type: Class
subclass of: Analytical entity
definition: A device that is peripheral to an analytical instrument and adds a specific functionality that supports the operation of the analytical instrument
id: CAO_000057
term editor: Person: Stuart Chalk

Configuration
type: Class
subclass of: Instrument descriptor
id: CAO_000058
term editor: Person: Stuart Chalk
definition: Textual representation of the arrangement or layout of a scientific instrument in enough detail that it allows other scientists to replicate the arrangement.

Analysis metric datum
type: Class
subclass of: Data item
id: CAO_000059
definition: Numeric values used to characterise the quality of an chemical analysis methodology
term editor: Person: Stuart Chalk

Chemometric datum
type: Class
subclass of: Data item
id: CAO_000060
definition: Numeric value from a chemometric test peformed on data from a chemical analysis
term editor: Person: Stuart Chalk

Validation datum
type: Class
subclass of: Data item
definition: A numeric value determined from a validation process that allows an estimate of accuracy, or assess reliability over time or across laboratories
id: CAO_000061
term editor: Person: Stuart Chalk

SRM/CRM analysis range data
type: Class
subclass of: Validation data item
definition: Analysis of a sample of a standard reference material or certified reference material to verify the accuracy of chemical analysis procedure. The data item contains the mean concentration and the confidence interval.
id: CAO_000062
term editor: Person: Stuart Chalk

Sample spike recovery percentage
type: Class
subclass of: Validation datum
definition: Analysis of a sample spiked with a known amount of analyte. The result is compared to the analysis portion of the same sample and the different is compared to the amount of analyte added. If the difference in the results is equivalent ot the amount added then the recovery is deemed 100%.
id: CAO_000063
term editor: Person: Stuart Chalk

Analyte
type: Class
equivalent class: Class
  intersection of: Chemical entity
  intersection of: Restriction
    on property: has role
    some values from: Analyte role
subclass of: Concept
subclass of: Restriction
  on property: has role
  some values from: Analyte role
definition: A chemical substance that is being investigated as to its presence and/or concentration in a sample using a chemical analysis procedure
id: CAO_000064
term editor: Person: Stuart Chalk

Quality control
type: Class
subclass of: Validation process
id: CAO_000065
term editor: IUPAC
definition: The maintenance and statement of the quality of a product (data set, etc.) specifically that it meets or exceeds some minimum standard based on known, testable criteria.
definition source: http://dx.doi.org/10.1351/goldbook.Q04975
definition source: http://dx.doi.org/10.1351/pac199062112167

Secondary standard role
type: Class
subclass of: Analysis role
id: CAO_000066
term editor: IUPAC
definition: The term secondary standard can also be applied to a substance whose active agent contents have been found by comparison against a primary standard.
definition source: http://dx.doi.org/10.1351/goldbook.S05924
definition source: http://iupac.org/publications/analytical_compendium/

Acid-base reaction
type: Class
subclass of: Reaction process
id: CAO_000067
term editor: Person: Stuart Chalk
definition: Reaction of acidic chemical substance with a basic chemical substance to form water and a salt. The pH of the resulting solution is more 'neutral' (close to pH 7) than each of the reactants alone.

Acidity
type: Class
subclass of: Chemical property
id: CAO_000068
definition: For Brønsted acids the tendency of a compound to act as a hydron (proton) donor. It can be quantitatively expressed by the acid dissociation constant of the compound in water or some other specified medium. For Lewis acids it relates to the association constants of Lewis adducts and π adducts.
term editor: IUPAC
definition source: http://dx.doi.org/10.1351/goldbook.A00079
definition source: http://dx.doi.org/10.1351/pac199466051077

Active ingredient
type: Class
subclass of: Pharmaceutical role
disjoint with: Excipient
definition: A chemical substance that is the pharmacologically active ingredient of a pharmaceutical
id: CAO_000069
term editor: Person: Stuart Chalk

Aggregated data item
type: Class
subclass of: Data item
id: CAO_000070
term editor: Person: Stuart Chalk
definition: Set of data (either measurement or result data) that constitutes a logical grouped entity for the purpsose of deriving additional information (visual, textual, or numeric). For example, calibration data.

Analysis role
type: Class
subclass of: Role
id: CAO_000071
term editor: Person: Stuart Chalk
definition: Roles that material entities play as part of a chemical analysis procedure

Analyst role
type: Class
subclass of: Person role
definition: A role of performing a chemical analysis of a sample
id: CAO_000072
term editor: Person: Stuart Chalk

Laboratory glassware
type: Class
subclass of: Materials
id: CAO_000073
definition: Containers, utensils, and apparati that are used in a chemical laboratory and are made of glass
term editor: Person: Stuart Chalk

Alloy
type: Class
subclass of: Chemical entity
disjoint with: Solution
definition: A homogeneous mixture of two chemical substances in a solid. Commonly one metal dissolved in another.
id: CAO_000074
term editor: Person: Stuart Chalk

Analyte class
type: Class
subclass of: Concept
definition: A group of related (either through structure, chemical reactivity, or usage) chemical substances that can be determined by a specific chemical analysis procedure, e.g. PAH's, PCB's, heavy metals, etc.
id: CAO_000075
term editor: Person: Stuart Chalk

Analytical glassware
type: Class
subclass of: Laboratory entity
id: CAO_000076
definition: Glass apparati that are used in the process of performing chemical analysis, e.g. volumetric flask, volumetric pipet, burette
term editor: Person: Stuart Chalk

Analytical entity
type: Class
subclass of: Material entity
definition: An instrument or apparatus used in performing chemical analysis procedures
id: CAO_000077
term editor: Person: Stuart Chalk

Analytical instrument component
type: Class
subclass of: Analytical entity
subclass of: Materials
definition: A piece of an instrument with a specific functionality that can be identified as a discrete entity, e.g. electron capture detector or analytical column
id: CAO_000078
term editor: Person: Stuart Chalk

Analytical separation process
type: Class
subclass of: Chemical analysis process
definition: A physical separation process used to isolate analyte(s) from the sample matrix prior to analysis
id: CAO_000079
term editor: Person: Stuart Chalk

Analyzed form
type: Class
subclass of: Concept
definition: A descriptive qualifier that indicates the nature/extent/availability of an analyte as it was determined in the sample, e.g. dissolved, labile, total etc.
id: CAO_000080
term editor: Person: Stuart Chalk
comment: Reference to the oxidation state of an analyte should not be included here as it should be part of the definition of the analyte

Application area
type: Class
subclass of: Concept
id: CAO_000081
term editor: Person: Stuart Chalk
definition: The extent of usage of a particular chemical analysis procedure across different industrial sectors, e.g. environmental, pharmaceutical, petrochemical

Base unit of measure
type: Class
subclass of: Datum property
id: CAO_000082
term editor: Person: Stuart Chalk
definition: The fundamental, root unit of a particular measured quantity

Block digestion
type: Class
subclass of: Digestion process
id: CAO_000083
term editor: Person: Stuart Chalk
definition: Process by which samples are digested by placing them in sealed think-walled glass vials and then placed in a solid heated block. Typically used in the digestion of sample of Kjeldahl nitrogen analysis.

Blowdown evaporation
type: Class
subclass of: Concentrating process
id: CAO_000084
definition: Process of removal of a solvent by blowing a stream of inert gas across/through a sample, reducing the pressure and causing the solvent to evaporate. Provides solvent removal without heating a sample.
term editor: Person: Stuart Chalk

Bulk property
type: Class
subclass of: Property
definition: A property of a composite material made from different chemical entities
id: CAO_000085
term editor: Person: Stuart Chalk

Calculated result data item
type: Class
subclass of: Data item
definition: A logical set of calculated values, e.g. the slope, intercept and r2 of a calibration curve
id: CAO_000086
term editor: Person: Stuart Chalk

Calculated result datum
type: Class
subclass of: Data item
id: CAO_000087
term editor: Person: Stuart Chalk
definition: The single numeric result datum from a mathematical calculation (or series of mathematical equations) based on measurement data (or previously calculated result(s)) in order to derive property data pertinent to an experiment being conducted.

Calibrant role
type: Class
subclass of: Analysis role
definition: A material entity that is used to perform a calibration process as part of a chemical analysis
id: CAO_000088
term editor: Person: Stuart Chalk

Calibration standard
type: Class
subclass of: Materials
id: CAO_000089
definition: Material entity used to discover the relationship between the magnitude of a detectable chemical or physical property and the concentration of a chemical substance within that material
term editor: Person: Stuart Chalk

Calibration data
type: Class
subclass of: Aggregated data item
definition: A set of data from the analysis of a set of standard materials aggregated in order to derive the relationship between the independent and dependent variables.
id: CAO_000090
term editor: Person: Stuart Chalk

ChAMP Category
type: Class
subclass of: Information content entity
id: CAO_000091
term editor: Person: Stuart Chalk
definition source: http://champ-project.org
definition: Metadata categories delineated in the Chemical Analysis Metadata Platform (ChAMP) specification

Chemical analysis process
type: Class
equivalent class: Restriction
  on property: realizes
  some values from: Analyte role
subclass of: ProcessualEntity
id: CAO_000092
term editor: Person: Stuart Chalk
definition: Processes or procedures performed as part of a chemical analysis activity

Chemical property
type: Class
subclass of: Quality
definition: A property or characteristic of a chemical entity
id: CAO_000093
term editor: Person: Stuart Chalk

Chemical sensor
type: Class
subclass of: Analytical entity
definition: A device that measures some property (e.g., receives a stimulus) of the real world and informs (e.g., responds to) its system about the result of the measurement. The lack of a sensor implies a lack of input to the system about the property in question. The sensor is a subsystem for gaining information about the real world. A sensor includes the transducer and the transmitter as part of its design.
id: CAO_000094
term editor: IUPAC
definition source: http://iupac.org/publications/analytical_compendium/Cha07sec3.pdf

Chemical separation process
type: Class
subclass of: Sample preparation process
definition: A physical process by which a mixture of chemical entities is separated from each other
id: CAO_000095
term editor: Person: Stuart Chalk

Chromatogram
type: Class
subclass of: Time course
definition: A graphical or other presentation of detector response, concentration of analyte in the effluent or other quantity used as a measure of effluent concentration versus effluent volume or time. In planar chromatography 'chromatogram' may refer to the paper or layer with the separated zones.
id: CAO_000096
definition source: http://dx.doi.org/10.1351/goldbook.C01071
definition source: http://dx.doi.org/10.1351/pac199365040819

Chromatographic process
type: Class
subclass of: Chemical separation process
definition: A chemical process by which mixtures of chemical entities are separated by their different partition coefficients between a stationary phase and a liquid phase
id: CAO_000097
term editor: Person: Stuart Chalk
has exact synonym: Preparative chromatography

Communication item
type: Class
subclass of: Textual entity
id: CAO_000098
definition: Informational items that provide mechanisms to contact an agent
term editor: Person: Stuart Chalk

Complexed
type: Class
subclass of: Chemical state property
disjoint with: Labile
id: CAO_000099
term editor: Person: Stuart Chalk
definition: Solution state where a chemical entity has reacted with another chemical entity actig as a ligand to form a complex species

Labile
type: Class
subclass of: Chemical state property
id: CAO_000100
definition: Extent of availability in solution of a chemical substance based on the solid phase based equilibria it is a reactant or product in
term editor: Person: Stuart Chalk

Coning and quartering
type: Class
subclass of: Laboratory sampling process
id: CAO_000101
term editor: Person: Stuart Chalk
definition: The reduction in size of a granular or powdered sample by forming a conical heap which is spread out into a circular, flat cake. The cake is divided radially into quarters and two opposite quarters are combined. The other two quarters are discarded. The process is repeated as many times as necessary to obtain the quantity desired for some final use (e.g. as the laboratory sample or as the test sample). If the process is performed only once, coning and quartering is no more efficient than taking alternate portions and discarding the others.
definition source: http://dx.doi.org/10.1351/goldbook.C01265
definition source: http://dx.doi.org/10.1351/pac199062061193

Datum property
type: Class
subclass of: Quality
id: CAO_000102
definition: Charateristics of a numeric value
term editor: Person: Stuart Chalk

Dependent axis label
type: Class
subclass of: Label
id: CAO_000103
term editor: Person: Stuart Chalk
definition: The label given to a dependent (typically y-axis) axis on a graph. The label normally contains the quantity and its unit

Deployment location
type: Class
subclass of: Site
id: CAO_000104
term editor: Person: Stuart Chalk
definition: Where chemical analysis apparatus is to be placed

Detection role
type: Class
subclass of: Instrument role
id: CAO_000105
term editor: Person: Stuart Chalk
definition: Where an analytical instrument or a wet chemical method is used to detect and/or quantitate an analyte

Dip net
type: Class
subclass of: Field sampling entity
id: CAO_000106
term editor: Person: Stuart Chalk
definition: Small mesh net on a long handle used for captured small aquatic creatures

Dissolution process
type: Class
subclass of: Sample preparation process
id: CAO_000107
term editor: Person: Stuart Chalk
definition: Process by which a solid chemical entity is dissolved in a solvent

Dredge
type: Class
subclass of: Field sampling entity
id: CAO_000108
definition: Device that captures a sample from the bottom of a waterbody
term editor: Person: Stuart Chalk

Electrical property
type: Class
subclass of: Quality
id: CAO_000109
term editor: Person: Stuart Chalk
definition: Properties of a material related to the flow of electric current through the material

Elemental crystalline entity
type: Class
subclass of: Elemental entity
definition: A crystal of a material made from only one type of element, e.g. metals
id: CAO_000110
comment: Has this been defined anywhere elese?
term editor: Person: Stuart Chalk

Elemental entity
type: Class
subclass of: Chemical entity
definition: 1) A species of atoms; all atoms with the same number of protons in the atomic nucleus. 2) A pure chemical substance composed of atoms with the same number of protons in the atomic nucleus. Sometimes this concept is called the elementary substance as distinct from the chemical element as defined under 1, but mostly the term chemical element is used for both concepts.
id: CAO_000111
has exact synonym: Chemical element
definition source: http://dx.doi.org/10.1351/goldbook.C01022

Elemental molecular ion
type: Class
subclass of: Elemental molecular entity
subclass of: Polyatomic ion
definition: A molecular ion that is composed of only one type of element, e.g. triiodide ion (I3-)
id: CAO_000112
comment: Has this been defined anywhere else?
term editor: Person: Stuart Chalk

Elemental molecular radical
type: Class
subclass of: Elemental molecular entity
definition: A molecular radical made of only one type of atom, e.g. ozone radical O3•
id: CAO_000113
term editor: Person: Stuart Chalk

Environmental role
type: Class
subclass of: Application role
id: CAO_000114
term editor: Person: Stuart Chalk
definition: Roles that chemical substances play as part of environment processes

Equipment
type: Class
subclass of: Laboratory entity
id: CAO_000115
term editor: Person: Stuart Chalk
definition: Physical objects that are used in a laboratory to conduct the scientific process that do not generate data to measure and/or record, e.g. autoclave, rotary evaporator, hotplate, ultrasonic bath

Equivalent things
type: Class
id: CAO_000116
definition: Other ontological definitions of terms that are equivalent to terms in CAO
term editor: Person: Stuart Chalk

Exponent
type: Class
subclass of: Datum property
id: CAO_000117
term editor: Person: Stuart Chalk
definition: The magnitude of number represented in scientific notation

Fiagram
type: Class
subclass of: Time course
id: CAO_000118
term editor: Person: Stuart Chalk
definition: Plot of a detector signal as a function of time in a system where solutions of chemical substances continuously flow, with or without chemical reaction. There is no 'chromatographic' separation, only presentation of the solutions to the detector using a pump. Applies to FIA, rFIA, SIA, merging zones, and flow cytometry techniques.

Field sampling process
type: Class
subclass of: Chemical analysis process
definition: A predetermined procedure for the selection, withdrawal, preservation, transportation and preparation of the portions to be removed from a population as samples. Summarizing the test values or observations from the selected portions yields an estimate for the concentration of an analyte or a value for a property determined with a calculable degree of uncertainty at a specified confidence level. A sampling plan includes the designation of the number, location and size of the portions, and instructions for the extent of compositing and for the reduction (in amount and fineness) of the portions to a laboratory sample and to test portions. It may also contain acceptance criteria. Some sampling plans do not include more than instructions for the statistical selection of portions to be removed. Such plans should properly be designated as 'statistical sampling plans'.
id: CAO_000119
term editor: IUPAC
definition source: http://dx.doi.org/10.1351/goldbook.S05466
definition source: http://dx.doi.org/10.1351/pac199062061193

Figure of merit
type: Class
subclass of: Concept
definition: An qualifier that presents information about the quality or appropriateness of a chemical analysis relative to its intended purpose. Intended to convey a measure of the scope of application relative to other chemical analysis methods.
id: CAO_000120
has related synonym: Metric
term editor: Person: Stuart Chalk

Functional group test
type: Class
subclass of: Chemical analysis
id: CAO_000121
definition: Chemical test used to determine the presence or absence of an organic functional group
term editor: Person: Stuart Chalk

Grab sampler
type: Class
subclass of: Field sampling entity
id: CAO_000122
definition: Device with a plastic bottle on the end of a long pole used for taking subsurface water samples from the side of bodies of water
term editor: Person: Stuart Chalk

Group leader role
type: Class
subclass of: Person role
id: CAO_000123
definition: Person in charge of group of research scientists
term editor: Person: Stuart Chalk

Headspace sampling
type: Class
subclass of: Instrument sampling process
id: CAO_000124
term editor: Person: Stuart Chalk
definition: The process of taking a sample of the gas phase (headspace) above a sample in a closed vessel (e.g. vial) after it has equilibrated. Used in gas chromatography to avoid injection of solvent and/or matrix components that may degrade the analytical performance of the chromatographic system.

Heating
type: Class
subclass of: Dissolution process
id: CAO_000125
term editor: Person: Stuart Chalk
definition: The process of increasing the temperature of a solution by application of heating in order to increase the rate of dissolution of one or more chemical entities

Heterogenous mixture
type: Class
subclass of: Mixture
definition: A material where two or more substances and mixed together but the composition is different in different parts of the material
id: CAO_000126
term editor: Person: Stuart Chalk

Homogeneous mixture
type: Class
subclass of: Mixture
definition: A mixture where all substances are intimately mixed such that the composition of the material is uniform throughout
id: CAO_000127
term editor: Person: Stuart Chalk

Hyphenated analytical instrument
type: Class
subclass of: Analytical entity
id: CAO_000128
term editor: Person: Stuart Chalk
definition: Two or more discrete analytical instruments that are interfaced together (providing transfer of analyte(s)) to produce a device that can be considered a analytical instrument in-of-itself

Independent axis label
type: Class
subclass of: Label
id: CAO_000129
term editor: Person: Stuart Chalk
definition: The label given to an independent (typically x-axis) axis on a graph. The label normally contains the quantity and its unit

Initiator role
type: Class
subclass of: Reaction role
definition: A chemical substance introduced into a reaction system in order to bring about an initiation reaction.
id: CAO_000130
term editor: IUPAC
definition source: http://dx.doi.org/10.1351/goldbook.I03043
definition source: http://dx.doi.org/10.1351/pac199668010149

Inorganic molecule
type: Class
subclass of: Inorganic molecular entity
id: CAO_000131
comment: Is this defined in any other ontology? Its not in ChEBI as of 2/19/15.
definition: Molecular or ionic substance formed from two or more elements other than carbon
term editor: Person: Stuart Chalk

Instrument descriptor
type: Class
subclass of: Data item
id: CAO_000132
definition: Metadata item that characterizes one aspect of a scientific instrument
term editor: Person: Stuart Chalk

Instrument role
type: Class
subclass of: Role
id: CAO_000133
term editor: Person: Stuart Chalk
definition: The role that an instrument plays in a chemical analysis procedure

Instrumental technique
type: Class
subclass of: Analytical technique
id: CAO_000134
definition: Method of analysis that uses a scientific instrument to measure a physical or chemical property of chemical substance
term editor: Person: Stuart Chalk

Homogenization process
type: Class
subclass of: Sample preparation process
id: CAO_000135
term editor: Person: Stuart Chalk
definition: Processes by which a heterogeneous sample is prepared so that becomes a homogeneous sample

Instrument sampling process
type: Class
subclass of: Chemical analysis process
id: CAO_000136
term editor: Person: Stuart Chalk
definition: The processing of a sample, prior to analysis, that is integral to an analytical instrument

Instrument type
type: Class
subclass of: Instrument descriptor
id: CAO_000137
term editor: Person: Stuart Chalk
definition: The general class of instrument that this device is an example of

Interference (Different mechanism)
type: Class
subclass of: Interference
id: CAO_000138
has exact synonym: DM-interference
term editor: IUPAC
definition: Interference in which the analytical signal is influenced by a different mechanism than the analyte e.g. the formation of non-dissociating species in emission spectroscopy.
definition source: http://dx.doi.org/10.1351/goldbook.D01824
definition source: http://dx.doi.org/10.1351/pac198855030553

Interference (Similar mechanism)
type: Class
subclass of: Interference
id: CAO_000139
term editor: IUPAC
definition: Interference by a substance that produces a signal by a similar mechanism to the analyte, which in the given procedure (including the apparatus used) can not be distinguished from the signal given by the analyte. For example, in a colour reaction with an organic ligand by also reacting with the ligand and producing a coloured compound absorbing at the same wavelength as the compound produced by the analyte or in an atomic spectrochemical analysis by absorbing or emitting at the same wavelength as the analyte.
has exact synonym: SM-interference
definition source: http://dx.doi.org/10.1351/goldbook.S05715
definition source: http://dx.doi.org/10.1351/pac198855030553

Interferent role
type: Class
subclass of: Analysis role
id: CAO_000140
term editor: Person: Stuart Chalk
definition: Where a chemical entity acts as in interferring species in the detection of a chemical entity acting as an analyte

Intermediate role
type: Class
subclass of: Reaction role
definition: A molecular entity with a lifetime appreciably longer than a molecular vibration (corresponding to a local potential energy minimum of depth greater than RT) that is formed (directly or indirectly) from the reactants and reacts further to give (either directly or indirectly) the products of a chemical reaction; also the corresponding chemical species.
id: CAO_000141
term editor: IUPAC
definition source: http://dx.doi.org/10.1351/goldbook.I03096
definition source: http://dx.doi.org/10.1351/pac199668010149

Intermediate stock solution
type: Class
subclass of: Solution
definition: A solution of one or more chemical entities that has been produced by dilution of a more concentrated solution and will subsequently be used to make a more dilute intermediate stock or working solution
id: CAO_000142
term editor: Person: Stuart Chalk

Ionic strength
type: Class
subclass of: Bulk property
id: CAO_000143
term editor: IUPAC
definition: On a molality basis, Im = 1/2 ∑ m_B z_B^2 where the sum goes over all the ions B. z_B is the charge number of ion B. The ionic strength on a concentration basis is defined analogously Ic = 1/2 ∑ c_B z_B^2.
definition source: http://dx.doi.org/10.1351/goldbook.I03180
definition source: http://dx.doi.org/10.1351/pac199668040957

Kinetics trace
type: Class
subclass of: Time course
id: CAO_000144
definition: Measurement of a property of a chemical entity(ies) in a chemical reaction as a function of time as a way to evaluate the kinetics of the chemical reaction
term editor: Person: Stuart Chalk

Laboratory entity
type: Class
subclass of: Material entity
id: CAO_000145
definition: Material entities that part of a scientific laboratory
term editor: Person: Stuart Chalk

Laboratory manager role
type: Class
subclass of: Person role
definition: A person acting in the managerial role of a laboratory facility
id: CAO_000146
term editor: Person: Stuart Chalk

Laboratory sampling process
type: Class
subclass of: Chemical analysis process
id: CAO_000147
term editor: Person: Stuart Chalk
definition: Processes performed in a chemical analysis laboratory for taking portions of a sample

Liquid-liquid extraction
type: Class
subclass of: Extraction process
id: CAO_000148
term editor: IUPAC
definition: The process of transferring a dissolved substance from one liquid phase to another (immiscible or partially miscible) liquid phase in contact with it. Although extraction, partition and distribution are not synonymous, extraction may replace distribution where appropriate (... when the emphasis is on the analyte(s) being distributed (or extracted). )
definition source: http://dx.doi.org/10.1351/goldbook.L03586
definition source: http://dx.doi.org/10.1351/pac199365112373

Mantissa
type: Class
subclass of: Datum property
id: CAO_000149
definition: Numeric portion of a value reported in scientific notation. The mantissa as quoted indicates the level of accuracy of a measured value by the number of significant digits reported.
term editor: Person: Stuart Chalk
comment: There must be another definition of this

Materials
type: Class
subclass of: Laboratory entity
id: CAO_000150
definition: Material entity supplies, consumables, or chemicals used in the performance of scientific research
term editor: Person: Stuart Chalk

Measurement datum
type: Class
subclass of: Data item
disjoint with: Measurement data item
definition: An individual measured data point of a quantity or quality of a material entity
id: CAO_000151
term editor: Person: Stuart Chalk

Measurement process
type: Class
subclass of: Chemical analysis process
definition: A description of a property of a system by means of a set of specified rules, that maps the property onto a scale of specified values, by direct or 'mathematical' comparison with specified reference(s). The demand for rules makes 'measurement' a scientific concept in contrast to the mere colloquial sense of 'description'. However, in the present definition, 'measurement' has a wider meaning than given in elementary physics. Even a very incomplete description of, for instance, a patient (at a stated time) has to be given by a set of measurements, that are easier to manage and grasp.
id: CAO_000152
term editor: IUPAC
definition source: http://dx.doi.org/10.1351/goldbook.M03794
definition source: http://dx.doi.org/10.1351/pac199567081563

Medical role
type: Class
subclass of: Application role
id: CAO_000153
term editor: Person: Stuart Chalk
comment: This must be defined elsewhere
definition: Where an entity plays a role in medicine, health, or related areas

Metallic element
type: Class
subclass of: Elemental crystalline entity
comment: A chemical element entity that possess the characteristics of metals, e.g. electrical conductvity, shinyness, ductility etc.
id: CAO_000154
term editor: Person: Stuart Chalk

Method of standard additions
type: Class
subclass of: Calibration process
id: CAO_000155
has exact synonym: Method of standard addition
term editor: Person: Stuart Chalk
definition: Process by which calibration is performed on a sample where the matrix components cause the signal from the analyte to be enchanced or deminished by the 'matrix effect'. The same small portion of a sample is added to all calibration solutions so that the matrix is matched, and the analyte concentration is determined by extrapolation of the regression line to y=0.
has exact synonym: Standard additions calibration
definition source: Statistics and Chemometrics for Analytical Chemistry, 6th Ed. 2010 Miller and Miller ISBN 978-0273730422 p128

Mixture
type: Class
subclass of: Concept
id: CAO_000156
definition: Material formed by the mixing of two or more chemical substances
term editor: Person: Stuart Chalk

Multivariate calibration
type: Class
subclass of: Calibration process
id: CAO_000157
comment: Get definition from Miller and Miller...
term editor: Person: Stuart Chalk

Non-analytical glassware
type: Class
subclass of: Laboratory entity
id: CAO_000158
definition: Glassware used for the manipulation/containment of chemical substances and mixtures that does not have a level of measurement accuracy necessary to perform chemical analysis, e.g. beakers, graduated cylinders, reflux condenser, funnel, erlenmeyer flask
term editor: Person: Stuart Chalk

Non-analytical instrument
type: Class
subclass of: Laboratory entity
definition: Basic property measurement device used in a scientific laboratory that is not used for chemical analysis, e.g. pH meter, thermometer, optical microscope
id: CAO_000159
term editor: Person: Stuart Chalk

Normal calibration
type: Class
subclass of: Calibration process
id: CAO_000160
term editor: Person: Stuart Chalk
definition: Preparation of a calibration curve using standard solutions made up in a 'clean' matrix, i.e. a solution that is the best for operation of the analytical instrument and/or detection of the analyte.
definition source: http://dx.doi.org/10.1351/goldbook.C00775
definition source: http://dx.doi.org/10.1351/pac198961091657

Numeric value
type: Class
subclass of: Datum property
definition: A representation of the numeric value of a dataum
id: CAO_000161
term editor: Person: Stuart Chalk

Peak table
type: Class
subclass of: Aggregated data item
id: CAO_000162
term editor: Person: Stuart Chalk
definition: Table that reports parameters of spectral, chromatographic, or other interprered peaks from a chemical analysis procedure

Pharmaceutical role
type: Class
label: Where a chemical entity plays the role of a pharmceutically active agent in pharmaceutical preparation
subclass of: Application role
id: CAO_000163
term editor: Person: Stuart Chalk

Polymer
type: Class
equivalent class: Polymer (as mixture)
subclass of: Macromolecule
definition: A substance composed of macromolecules.
id: CAO_000164
term editor: IUPAC
definition source: http://dx.doi.org/10.1351/goldbook.P04735
definition source: http://dx.doi.org/10.1351/pac199668122287

Physical quantity
type: Class
subclass of: Datum property
id: CAO_000165
definition: Identification of the physical quantity a datum is a measurement of
term editor: Person: Stuart Chalk

Physical separation process
type: Class
subclass of: Sample preparation process
id: CAO_000166
term editor: Person: Stuart Chalk
definition: Processes by which mixtures of chemical entities are separated using differences in physical properties

Portable analytical instrument
type: Class
subclass of: Analytical entity
definition: A laboratory-based analytical instrument that has been modified in order to be transported to the location of the sample (as opposed to sample taken to the instrument) in order to perform the chemical analysis
id: CAO_000167
term editor: Person: Stuart Chalk

Precipitation gravimetry
type: Class
subclass of: Wet chemical analysis process
definition: A determination by weight; e.g. in the older method of Cl− ion determination, a weighed amount of sample is dissolved in water, AgNO3 solution added, AgCl is precipitated, dried and weighed. From the known mass fraction of silver in AgCl, the weights of the initial sample and that of the AgCl precipitated, the percentage of chlorine in the sample can be calculated readily. [Listed as gravimetric method in IUPAC Orange book]
id: CAO_000168
term editor: IUPAC
definition source: http://dx.doi.org/10.1351/goldbook.G02694
definition source: http://dx.doi.org/10.1351/pac199062112167

Preparative thin-layer chromatography
type: Class
subclass of: Chromatographic process
id: CAO_000169
term editor: Person: Stuart Chalk
definition: The process of using a high capacity thin-layer chromatography plate to separate components of a sample prior to analysis by another technique. Typically a large amount of sample is loading in one spot or band, the separation allowed to occur, one or more chemical substances removed from the plate by scraping of the solid chromatographic phase, and subsequent extraction of the compound(s) into an appropriate solvent.

Preservative
type: Class
subclass of: Field sampling entity
id: CAO_000170
definition: Chemical substance used to stabilize the composition of sample prior to analysis. The intent is to ensure there is no change in analyte chemical entity concentrations prior to analysis.
term editor: Person: Stuart Chalk

Primary standard
type: Class
equivalent class: Class
  intersection of: Chemical entity
  intersection of: Restriction
    on property: has role
    some values from: Primary standard role
subclass of: Materials
definition: A primary standard is a substance of known high purity which may be dissolved in a known volume of solvent to give a primary standard solution (having an accurately known concentration).
id: CAO_000171
term editor: IUPAC
definition source: http://dx.doi.org/10.1351/goldbook.S05924
definition source: http://iupac.org/publications/analytical_compendium/

Primary standard role
type: Class
subclass of: Analysis role
definition: A chemical entity that acts as a substance of known high purity which may be dissolved in a known volume of solvent to give a primary standard solution (having an accurately known concentration).
id: CAO_000172
term editor: IUPAC
definition source: http://dx.doi.org/10.1351/goldbook.S05924
definition source: http://iupac.org/publications/analytical_compendium/

Property
type: Class
subclass of: Concept
definition: An attribute that belongs to an entity and characterizes it in some way
id: CAO_000173
term editor: Person: Stuart Chalk

Property measurement
type: Class
subclass of: Chemical analysis
id: CAO_000174
definition: Measurement of a physical or chemical property in order to characterize a substance or material
term editor: Person: Stuart Chalk

Qualitative analysis
type: Class
subclass of: Chemical analysis
definition: An analysis where the presence/absence of a chemical substance in a material is determined
id: CAO_000175
term editor: Person: Stuart Chalk

Quality assurance
type: Class
subclass of: Validation process
id: CAO_000176
term editor: IUPAC
definition: The guarantee that the quality of a product (analytical data set, etc.) is actually what is claimed on the basis of the quality control applied in creating that product. Quality assurance is not synonymous with quality control. Quality assurance is meant to protect against failures of quality control.
definition source: http://dx.doi.org/10.1351/goldbook.Q04975
definition source: http://dx.doi.org/10.1351/pac199062112167

Quantitative analysis
type: Class
subclass of: Chemical analysis
definition: An analysis where the absolute concentration, relative concentration, or amount of a chemical substance is determined
id: CAO_000177
term editor: Person: Stuart Chalk

Reactant role
type: Class
subclass of: Reaction role
definition: A chemical entity that acts as a reactant in a chemical reaction
id: CAO_000178
term editor: Person: Stuart Chalk

Reaction role
type: Class
subclass of: Role
id: CAO_000179
term editor: Person: Stuart Chalk
definition: The roles that chemical entities play in chemical reactions

Reagent
type: Class
equivalent class: Class
  intersection of: Chemical entity
  intersection of: Restriction
    on property: has role
    some values from: Reagent role
subclass of: Materials
definition: A substance that is consumed in the course of a chemical reaction. It is sometimes known, especially in the older literature, as a reagent, but this term is better used in a more specialized sense as a test substance that is added to a system in order to bring about a reaction or to see whether a reaction occurs (e.g. an analytical reagent).
id: CAO_000180
term editor: IUPAC
definition source: http://dx.doi.org/10.1351/goldbook.R05163
definition source: http://dx.doi.org/10.1351/pac199668010149

Reference material testing
type: Class
subclass of: Validation process
definition: Analysis of....A substance or mixture of substances, the composition of which is known within specified limits, and one or more of the properties of which is sufficiently well established to be used for the calibration of an apparatus, the assessment of a measuring method or for assigning values to materials. Reference materials are available from national laboratories in many countries [e.g. National Institute for Standards and Technology (NIST), USA.; Community Bureau of Reference, UK].
id: CAO_000181
term editor: IUPAC
definition source: http://dx.doi.org/10.1351/goldbook.R05230
definition source: http://dx.doi.org/10.1351/pac199062112167

Remote analytical instrument
type: Class
subclass of: Analytical entity
definition: An analytical instrument specifically designed to be deployed (permanently or semi-permanently) at the location of the sample (as opposed to sample taken to the instrument) that operates automatically or semi-automatically
id: CAO_000182
has exact synonym: Field analytical instrument
term editor: Person: Stuart Chalk

Remote technique
type: Class
subclass of: Analytical technique
id: CAO_000183
definition: Method analysis that is implemented by deployment of device that has been designed and built to carry out the analysis autonomously, i.e. without direct human intervention
term editor: Person: Stuart Chalk

Replicate data
type: Class
subclass of: Aggregated data item
definition: A group of data points that are nominally the same numeric value becuase they are equally valid estimates of a property of the same population, but due to random error will be scattered based on the distrubution model applicable in the context of process of measuring the data.
id: CAO_000184
term editor: Person: Stuart Chalk

Representative sampling
type: Class
subclass of: Field sampling process
definition: A sampling plan that can be expected to capture a sample that adequately reflects the properties of interest of the parent population. A representative sample may be a random sample or, for example, a stratified sample, depending upon the objective of sampling and the characteristics of the population. The degree of representativeness of the sample may be limited by cost or convenience.
id: CAO_000185
term editor: Person: Stuart Chalk
definition source: http://dx.doi.org/10.1351/goldbook.R05303
definition source: http://dx.doi.org/10.1351/pac199062061193

Ruggedness
type: Class
subclass of: Analysis metric datum
id: CAO_000186
term editor: IUPAC
definition: Ruggedness means that the precision and accuracy of the method are insensitive to minor changes in environmental and procedural variables, laboratories, personnel, etc.
definition source: Section 18.4.3.1 of the IUPAC Compendium of Analytical Nomenclature, http://iupac.org/publications/analytical_compendium/

SI prefix
type: Class
subclass of: Datum property
id: CAO_000187
definition: One of a predefined set of abbreviations for magnitude values of scientific numbers published by under the Systeme International of Units specification
term editor: Person: Stuart Chalk

SI unit equivalent
type: Class
subclass of: Datum property
id: CAO_000188
definition: Equivalent unit expression using the SI units for a non-SI unit
term editor: Person: Stuart Chalk

Sample
type: Class
subclass of: Materials
definition: A portion of material selected from a larger quantity of material. The term needs to be qualified, e.g. bulk sample, representative sample, primary sample, bulked sample, test sample. The term 'sample' implies the existence of a sampling error, i.e. the results obtained on the portions taken are only estimates of the concentration of a constituent or the quantity of a property present in the parent material. If there is no or negligible sampling error, the portion removed is a test portion, aliquot or specimen. The term 'specimen' is used to denote a portion taken under conditions such that the sampling variability cannot be assessed (usually because the population is changing), and is assumed, for convenience, to be zero. The manner of selection of the sample should be prescribed in a sampling plan.
id: CAO_000189
term editor: IUPAC
definition source: http://dx.doi.org/10.1351/goldbook.S05451
definition source: http://dx.doi.org/10.1351/pac199062061193

Sampling role
type: Class
label: When an instrument, or instrument component, is used to perform a sampling process prior to analysis
subclass of: Instrument role
id: CAO_000190
term editor: Person: Stuart Chalk

Sensor technique
type: Class
subclass of: Analytical technique
id: CAO_000191
definition: Method of analysis using a chemical sensor device to determine the concentration or amount of chemical substance
term editor: Person: Stuart Chalk

Separation role
type: Class
subclass of: Instrument role
id: CAO_000192
term editor: Person: Stuart Chalk
definition: When an analytical instrument or wet chemical method has been used to do separation of a mixture prior to detection

Sieving
type: Class
subclass of: Physical separation process
id: CAO_000193
has related synonym: Mesh sieving
term editor: Person: Stuart Chalk
definition: Processing of particulate material into separate fractions of different particle size
has exact synonym: Sifting

Solution
type: Class
subclass of: Materials
subclass of: Chemical entity
definition: A homogeneous mixture of two or more chemical entities in the solid, liquid or gas phase
id: CAO_000194
term editor: Person: Stuart Chalk

Sonication
type: Class
subclass of: Dissolution process
id: CAO_000195
term editor: Person: Stuart Chalk
definition: Process of applying ultrasonic fequencies of sound to a solution in order to aid the process of dissolution

Specificity
type: Class
subclass of: Analysis metric datum
definition: Ability of a method to detect one element in the presence of another element.
id: CAO_000196
term editor: IUPAC
has exact synonym: Qualititative elemental specificity
definition source: http://dx.doi.org/10.1351/goldbook.Q04974
definition source: http://dx.doi.org/10.1351/pac197951112243

Specimen
type: Class
subclass of: Materials
definition: A specifically selected portion of a material taken from a dynamic system and assumed to be representative of the parent material at the time it is taken. Although the specimen may not be reproducible in time, e.g. it may be taken from a flowing stream or a portion of blood, no separable sampling error exists since this error is unavoidably included with the corresponding error of the estimate of the property, function or analyte being studied. A specimen may be considered as a special type of sample, taken primarily in time rather than in space. The term 'specimen' has been used both as a representative unit and as a nonrepresentative (often better than most) unit of a population, usually in clinical, biological and mineralogical collections. 'Collections' in this case is used as either a noun or verb. This usage is almost always self-evident, and thus would not be confused with a time-type sample.
id: CAO_000197
term editor: IUPAC
definition source: http://dx.doi.org/10.1351/goldbook.S05809
definition source: http://dx.doi.org/10.1351/pac199062061193

Spike role
type: Class
subclass of: Analysis role
id: CAO_000198
term editor: Person: Stuart Chalk
definition: Where an additional amount of the analyte has been added to a sample in order to evaluate the accuracy of a procedure

Standard method of analysis
type: Class
subclass of: Protocol
definition: A published standard method of chemical analysis that delineates sample processing, calibration, instrument setup, sample measurment, result calculation an method validation. Published by an organizational entity of high repute.
id: CAO_000199
term editor: Person: Stuart Chalk

Standard operating procedure
type: Class
subclass of: Protocol
id: CAO_000200
definition: Documented set of actions to perform in a chronological sequence to perform an analysis or operate an instrument. This differs from a standard method of analysis in that it is not ruggedly tested by multiple independent entities. Normally developed for in-house use and with a specific scope.
term editor: Person: Stuart Chalk

Standard role
type: Class
subclass of: Analysis role
id: CAO_000201
term editor: Person: Stuart Chalk
definition: Where a chemical entity is used the role of a standard to calibrate a chemical analysis process

Statistical datum
type: Class
subclass of: Data item
id: CAO_000202
term editor: Person: Stuart Chalk
definition: Values calculated by applying statistical equations to a set of replicate data that is derived from the same population

Statistical process control
type: Class
subclass of: Validation process
id: CAO_000203
term editor: Person: Stuart Chalk
definition: Use of a control chart to monitor a chemical or manufacturer process based on statistics of the historical data of the same process

Stirring
type: Class
subclass of: Dissolution process
id: CAO_000204
term editor: Person: Stuart Chalk
definition: Process of mechanical movement of a solution either by hand for automated device in order to aid dissolution of one or more solutes

Stock solution
type: Class
subclass of: Solution
definition: A known highly concentrated liquid solution prepared by dissolving a solid chemical substance in a solvent such that the concentration of the chemical substance can be accurately calculated. The concentration of the chemical substance is too high for direct use and thus must be diluted a procedure.
id: CAO_000205
term editor: Person: Stuart Chalk

Structure elucidation
type: Class
subclass of: Chemical analysis
definition: Analysis of the composition and/or bonding in a substance in order to determine its molecular/ionic structure
id: CAO_000206
term editor: Person: Stuart Chalk

Subsampling
type: Class
subclass of: Laboratory sampling process
id: CAO_000207
term editor: Person: Stuart Chalk
definition: Process of taking small representative samples of a larger amount of material in order to subsequently process and analyze in exactly the same way. Normally performed to allow calculation of a mean value of the analyte property and estimate the precision of the chemical analysis process.

Time course
type: Class
subclass of: Measurement data item
definition: An array of data recorded as a function of time (i.e. all other variables held constant)
id: CAO_000208
term editor: Person: Stuart Chalk

Unit of measure
type: Class
equivalent class: Unit
subclass of: Datum property
id: CAO_000209
term editor: Person: Stuart Chalk
comment: Reference units from the Units of Measure Ontology (UO) unless not defined in that ontology

Usage scenario
type: Class
subclass of: Concept
id: CAO_000210
definition: In what situation(s) is a chemical analysis procedure targeted for use in, eg. clinical trial, quality assurance, etc.
term editor: Person: Stuart Chalk

Volatilization gravimetry
type: Class
subclass of: Wet chemical analysis process
id: CAO_000211
definition: Chemical analysis process where a solution based sample is chemically converted to gas of known chemical composition, so that the difference in mass can be used to calculate the concentration of the analyte.
definition source: Fundamentals of Analytical Chemistry, 9th edition 2013, Skoog, West, Holler (Author), and Crouch ISBN 978-0495558286 p280
term editor: IUPAC

Wet chemical analysis process
type: Class
subclass of: Chemical analysis process
id: CAO_000212
term editor: Person: Stuart Chalk
definition: Processes in chemical analysis that are performed using traditional bench glassware physically manipulated by an analyst. These processes are historically how chemical analysis was done before the development of modern instrumentation.

Wet chemical technique
type: Class
subclass of: Analytical technique
id: CAO_000213
definition: Methods of chemical analysis that are performed using traditional bench glassware physically manipulated by an analyst
term editor: Person: Stuart Chalk

Working solution
type: Class
subclass of: Solution
id: CAO_000214
term editor: Person: Stuart Chalk
definition: Solution prepared from an intermediate stock solution intended to be used directly in a chemical analysis procedure

Volatile
type: Class
subclass of: Chemical state property
id: CAO_000215
definition: Fraction of a chemical substance in the vapor phase under the existing environmental conditions
term editor: Person: Stuart Chalk

Validation data item
type: Class
subclass of: Data item
term editor: Person: Stuart Chalk

Manfacturer name
type: Class
subclass of: Instrument descriptor
id: CAO_000217
term editor: Person: Stuart Chalk
definition: The legal name of a manufacturing entity

Chemical system entity
type: Class
subclass of: Material entity
id: CAO_000224
definition: One or more chemical entities interacting through chemical reaction(s) with properties different than the chemical entities alone

Biological system entity
type: Class
equivalent class: Class
  intersection of: Chemical system entity
  intersection of: Restriction
    on property: has role
    some values from: Biological role
subclass of: Material entity
id: CAO_000225
definition: One or more chemical entities interacting through chemical reaction(s) with properties different than the chemical entities alone where the system plays an important biological role

File data item
type: Class
subclass of: Data item
id: CAO_000232

Text data file
type: Class
subclass of: File data item
id: CAO_000233
definition: Text based data file that can be in a number of delimited, e.g. CSV, JSON, standardized e.g. JCAMP, MOL, XML or freeform formats

Binary data file
type: Class
subclass of: File data item
id: CAO_000234

JCAMP file
type: Class
subclass of: Text data file
id: CAO_000235
definition: File format developed by the Joint Committee on Atomic and Molecular Physical Data (JCAMP) for exchange of instrument data
definition source: http://www.jcamp-dx.org/protocols.html

XML file
type: Class
subclass of: Text data file
id: CAO_000236
definition: Standardized markup language for structured organization of annotated information where the annotation is accomplished through the use of element tags
definition source: http://www.w3.org/XML/

JSON file
type: Class
subclass of: Text data file
id: CAO_000237
definition: Javascript object notation (JSON) is a format used to represent name/value pairs of information
definition source: http://www.json.org/

JSON-LD file
type: Class
subclass of: JSON file
definition: A W3C recommended format that encodes RDF triples in the JSON specification
id: CAO_000238
definition source: http://www.w3.org/TR/json-ld/

Exemplar data item
type: Class
subclass of: Data item
id: CAO_000239
definition: Example datum, data or data arrays that are used to show the quality/capbilities of a chemical analysis methodology

Certified analysis
type: Class
subclass of: Chemical analysis
definition: An analysis of a material carried out using two independent analytical methodologies with the highest confidence in its accuracy in that all known or suspected sources of bias have been fully investigated or accounted for
id: CAO_000240
definition source: http://www.nist.gov/srm/definitions.cfm

Certified concentration
type: Class
subclass of: Concentration
id: CAO_000241
definition: The concentration reported for the analysis of a reference material where there is the highest confidence in its accuracy in that all known or suspected sources of bias have been fully investigated or accounted for
definition source: http://www.nist.gov/srm/definitions.cfm

Mass
type: Class
subclass of: Physical property
comment: PATO_0000125

Data table
type: Class
subclass of: Aggregated data item
definition: A generic column/row structured set of data
id: IAO_0000306

Contact
type: Class
subclass of: Information content entity
id: ARG_2000379

Site
type: Class
subclass of: Immaterial entity
id: BFO_0000029

Immaterial entity
type: Class
subclass of: Independent Continuant
id: BFO_0000141

Polypeptide
type: Class
subclass of: Macromolecule
id: CHEBI_15841

Anion
type: Class
subclass of: Ion
id: CHEBI_22563

Molecular entity
type: Class
subclass of: Chemical entity
id: CHEBI_23367
comment: The ChEBI definition of molecular entity is too broad and should be used for the more generic 'chemical entity' definition

Chemical entity
type: Class
subclass of: Material entity
id: CHEBI_24431

Biological role
type: Class
subclass of: Role
id: CHEBI_24432

Functional group
type: Class
subclass of: Chemical entity
id: CHEBI_24433
has exact synonym: Group
has exact synonym: Organic functional group

Inorganic molecular entity
type: Class
subclass of: Molecular entity
id: CHEBI_24835

Monatomic ion
type: Class
subclass of: Ion
id: CHEBI_24867

Ion
type: Class
subclass of: Chemical entity
id: CHEBI_24870
comment: ChEBI definition is to specific

Elemental molecule
type: Class
subclass of: Elemental molecular entity
id: CHEBI_25362

Organic anion
type: Class
subclass of: Organic ion
id: CHEBI_25696

Organic cation
type: Class
subclass of: Organic ion
id: CHEBI_25697

Organic ion
type: Class
subclass of: Ion
subclass of: Organic molecular entity
id: CHEBI_25699

Organometallic compound
type: Class
subclass of: Organic molecular entity
id: CHEBI_25707

Radical
type: Class
subclass of: Chemical entity
id: CHEBI_26519
comment: ChEBI defines this too specifically (SJC)

Application role
type: Class
subclass of: Role
id: CHEBI_33232

Atom
type: Class
subclass of: Chemical entity
id: CHEBI_33250

Elemental molecular entity
type: Class
subclass of: Elemental entity
subclass of: Molecular entity
id: CHEBI_33259

Nutrient
type: Class
subclass of: Environmental role
id: CHEBI_33284
has related synonym: Nutrients

Biomacromolecule
type: Class
subclass of: Macromolecule
id: CHEBI_33694

Macromolecule
type: Class
subclass of: Chemical entity
id: CHEBI_33839

Polyatomic ion
type: Class
subclass of: Ion
id: CHEBI_36358

Inorganic radical
type: Class
subclass of: Inorganic molecular entity
subclass of: Radical
id: CHEBI_36871

Organic radical
type: Class
subclass of: Radical
subclass of: Organic molecular entity
id: CHEBI_36872

Radical ion
type: Class
subclass of: Ion
subclass of: Radical
id: CHEBI_36875

Inorganic radical ion
type: Class
subclass of: Radical ion
id: CHEBI_36878

Organic radical ion
type: Class
subclass of: Radical ion
id: CHEBI_36880

Inorganic ion
type: Class
subclass of: Inorganic molecular entity
subclass of: Ion
id: CHEBI_36914

Cation
type: Class
subclass of: Ion
id: CHEBI_36916

Homopolymer
type: Class
subclass of: Polymer
id: CHEBI_37997

Solvent role
type: Class
equivalent class: Restriction
  on property: inheres in
  some values from: Chemical entity
subclass of: Reaction role
subclass of: Chemical role
disjoint with: Solute role
id: CHEBI_46787

Organic molecular entity
type: Class
subclass of: Molecular entity
id: CHEBI_50860

Role
type: Class
subclass of: Realizable entity
id: CHEBI_50906

Chemical role
type: Class
subclass of: Role
id: CHEBI_51086
definition: Portions of matter that are under study, used in chemical reactions, made in procedures or otherwise integral to the process of scientific investigation

Copolymer
type: Class
subclass of: Polymer
id: CHEBI_53310

Polymer (as mixture)
type: Class
subclass of: Equivalent things
id: CHEBI_60027

Organic molecule
type: Class
subclass of: Organic molecular entity
id: CHEBI_72695

Excipient
type: Class
subclass of: Pharmaceutical role
id: CHEBI_75324

Spectrum
type: Class
subclass of: Measurement data item
id: CHMO_0000800

Electrophoretic separation
type: Class
subclass of: Analytical separation process
id: CHMO_0001019

Centrifugation
type: Class
subclass of: Physical separation process
id: CHMO_0001047

Sample preparation step
type: Class
subclass of: Equivalent things
id: CHMO_0001131

Chemical derivatization
type: Class
subclass of: Sample preparation process
id: CHMO_0001485
has exact synonym: Chemical derivatisation

Digestion process
type: Class
subclass of: Sample preparation process
id: CHMO_0001489

Hotplate digestion
type: Class
subclass of: Digestion process
disjoint with: Microwave digestion
id: CHMO_0001490
definition: Wet digestion method where heat is applied via a hot-plate

Enzymatic digestion
type: Class
subclass of: Digestion process
id: CHMO_0001494

Microwave digestion
type: Class
subclass of: Digestion process
id: CHMO_0001496
hasAcronym: MAD
has exact synonym: Microwave assisted digestion

Dialysis
type: Class
subclass of: Chemical separation process
id: CHMO_0001522

Rotary evaporation
type: Class
subclass of: Concentrating process
id: CHMO_0001576

Extraction process
type: Class
subclass of: Sample preparation process
subclass of: Chemical separation process
id: CHMO_0001577

Solid phase extraction
type: Class
subclass of: Extraction process
id: CHMO_0001583
hasAcronym: SPE

Membrane extraction
type: Class
subclass of: Extraction process
id: CHMO_0001593

Solid-liquid extraction
type: Class
subclass of: Extraction process
id: CHMO_0001607

Microwave extraction
type: Class
subclass of: Extraction process
id: CHMO_0001608
hasAcronym: MAE
has exact synonym: Microwave-assisted extraction

Soxhlet extraction
type: Class
subclass of: Extraction process
id: CHMO_0001609

Filtration
type: Class
subclass of: Physical separation process
id: CHMO_0001640

Grinding process
type: Class
subclass of: Sample preparation process
id: CHMO_0001652
has exact synonym: Milling process

Ball milling
type: Class
subclass of: Grinding process
id: CHMO_0001654

Wet grinding
type: Class
subclass of: Grinding process
id: CHMO_0001657
has exact synonym: Liquid-assisted grinding

Leaching
type: Class
subclass of: Extraction process
id: CHMO_0001681

Mixing
type: Class
subclass of: Homogenization process
id: CHMO_0001685

Homogenization
type: Class
subclass of: Homogenization process
id: CHMO_0002020
has exact synonym: Homogenisation

Preparative column chromatography
type: Class
subclass of: Chromatographic process
id: CHMO_0002118

Hotplate evaporation
type: Class
subclass of: Concentrating process
id: CHMO_0002208

Volumetric titration
type: Class
subclass of: Wet chemical analysis process
id: CHMO_0002536
term editor: IUPAC
definition: The process of determining the quantity of a substance A by adding measured increments of substance B, with which it reacts (almost always as a standardized solution called the titrant, but also by electrolytic generation, as in coulometric titration) with provision for some means of recognizing (indicating) the endpoint at which essentially all of A has reacted. If the endpoint coincides with the addition of the exact chemical equivalence, it is called the equivalence point or stoichiometric or theoretical endpoint, thus allowing the amount of A to be found from known amounts of B added up to this point, the reacting weight ratio of A to B being known from stoichiometry or otherwise. Terms for varieties of titration can reflect the nature of the reaction between A and B. Thus, there are acid–base, complexometric, chelatometric, oxidation–reduction, and precipitation titrations. Additionally, the term can reflect the nature of the titrant, such as acidimetric, alkalimetric, and iodometric titrations as well as coulometric titrations, in which the titrant is generated electrolytically rather than being added as a standard solution.
definition source: http://dx.doi.org/10.1351/goldbook.T06387

Coulometric titration
type: Class
subclass of: Wet chemical analysis process
id: CHMO_0002537

Flash chromatography
type: Class
subclass of: Chromatographic process
id: CHMO_0002582

Analyte role
type: Class
equivalent class: Restriction
  on property: realized in
  some values from: Chemical analysis process
subclass of: Analysis role
subclass of: Reactant role
disjoint with: Matrix role
id: CHMO_0002740

Matrix
type: Class
subclass of: Equivalent things
id: CHMO_0002743

Matrix role
type: Class
subclass of: Analysis role
id: CHMO_0002744

Methoxyamination derivatization
type: Class
subclass of: Chemical derivatization
id: CHMO_0002757
has exact synonym: Methoxyamination derivatisation

Equipment specification datum
type: Class
subclass of: Data item
id: CHMO_0002761

Concentrating process
type: Class
subclass of: Sample preparation process
id: CHMO_0002771
definition: Processes by which a samples concentration of one or more chemical substances is increased

Limit of detection
type: Class
subclass of: Analysis metric datum
id: CHMO_0002801
has exact synonym: Detection limit
hasAcronym: LOD
hasAcronym: MDL
has exact synonym: Method detection limit

Limit of quantitation
type: Class
subclass of: Analysis metric datum
id: CHMO_0002802
hasAcronym: LOQ

Method specification datum
type: Class
subclass of: Data item
id: CHMO_0002803

Linear dynamic range
type: Class
subclass of: Analysis metric datum
id: CHMO_0002807
hasAcronym: LDR
has exact synonym: Linear range

Concentration
type: Class
subclass of: Measurement datum
id: CHMO_0002820

Limit of linearity
type: Class
subclass of: Analysis metric datum
id: CHMO_0002847
hasAcronym: LOL

Dynamic range
type: Class
subclass of: Analysis metric datum
id: CHMO_0002848

Repeatability
type: Class
subclass of: Analysis metric datum
id: CHMO_0002849
has exact synonym: Intra-assay precision

Sample throughput
type: Class
subclass of: Analysis metric datum
id: CHMO_0002854

Waste
type: Class
subclass of: Chemical entity
id: ENVO_00002264

Environmental condition
type: Class
subclass of: Sampling property
id: ENVO_01000203

Clinical trial
type: Class
subclass of: Application process
id: ERO_0000016

Quality control
type: Class
subclass of: Application process
id: ERO_0001219
hasAcronym: QC

Chemical property
type: Class
subclass of: Property
id: FIX_0000268

Physical state
type: Class
subclass of: Bulk property
id: FMA_85812

Geographic location
type: Class
subclass of: Site
id: GAZ_00000448

Measurement unit label
type: Class
subclass of: Label
id: IAO_0000003

Objective specification
type: Class
subclass of: Directive information entity
id: IAO_0000005

Label
type: Class
subclass of: Information content entity
id: IAO_0000009

Model number
type: Class
subclass of: Equivalent things
id: IAO_0000017

Data item
type: Class
subclass of: Information content entity
id: IAO_0000027

Information content entity
type: Class
subclass of: Generically dependent continuant
id: OBI_0000142

Directive information entity
type: Class
subclass of: Information content entity
id: IAO_0000033

Graph
type: Class
subclass of: Diagram
id: IAO_0000038

Plan specification
type: Class
subclass of: Directive information entity
id: IAO_0000104

Measurement data item
type: Class
equivalent class: Restriction
  on property: has many
  some values from: Measurement datum
subclass of: Data item
id: IAO_0000109
comment: Interpreted as single or multidimensional array of measurement data

Version number
type: Class
subclass of: Equivalent things
id: IAO_0000129

Serial number
type: Class
subclass of: Equivalent things
id: IAO_0000131

Instrument setting datum
type: Class
subclass of: Data item
id: IAO_0000140

Scatterplot
type: Class
subclass of: Graph
id: IAO_0000184

Textual entity
type: Class
subclass of: Information content entity
id: IAO_0000300

Figure
type: Class
subclass of: Information content entity
id: IAO_0000308

Diagram
type: Class
subclass of: Figure
id: IAO_0000309

Document
type: Class
subclass of: Information content entity
id: IAO_0000310

Control software name
type: Class
subclass of: Equivalent things
id: IAO_0000594

Catalyst role
type: Class
subclass of: Reaction role
id: INO_0000069

Material safety data sheet
type: Class
subclass of: Document
id: MI_2023
hasAcronym: MSDS

Product ion
type: Class
subclass of: Ion
has exact synonym: Daughter ion
has exact synonym: Fragment ion
id: MS_1000342

Sensitivity
type: Class
subclass of: Analysis metric datum
id: OBCS_0000058
has exact synonym: Slope of a calibration curve

Coefficient of determination
type: Class
subclass of: Analysis metric datum
id: OBCS_0000144
has exact synonym: R squared
has exact synonym: R squared value

Drug role
type: Class
subclass of: Medical role
id: OBI_0000040

Reagent role
type: Class
equivalent class: Biomedical research reagent role
subclass of: Reactant role
id: OBI_0000086

Methodology objective
type: Class
subclass of: Objective specification
id: OBI_0000208

Protocol
type: Class
subclass of: Plan specification
id: OBI_0000272

Analyte measurement objective
type: Class
id: OBI_0000437
subclass of: Assay objective

Assay objective
type: Class
subclass of: Objective specification
id: OBI_0000441

Specimen collection
type: Class
subclass of: Field sampling process
id: OBI_0000659

Mean
type: Class
subclass of: Statistical datum
has exact synonym: Average
id: OBI_0000679

Student's t-test
type: Class
subclass of: Chemometric datum
id: OBI_0000739

Grab sampling
type: Class
subclass of: Field sampling process
has exact synonym: Material sampling process
id: OBI_0000744

Calibration process
type: Class
subclass of: Chemical analysis process
id: OBI_0000818
definition: The set of operations which establish, under specified conditions, the relationship between values indicated by the analytical instrument and the corresponding known values of an analyte.
definition source: http://dx.doi.org/10.1351/goldbook.C00775
definition source: http://dx.doi.org/10.1351/pac198961091657

Manufacturer
type: Class
subclass of: Agent
id: OBI_0000835

Chi square test
type: Class
subclass of: Chemometric datum
id: OBI_0200200

Solute role
type: Class
equivalent class: Restriction
  on property: inheres in
  some values from: Chemical entity
subclass of: Chemical role
id: OBI_0302733

Validation process
type: Class
subclass of: Chemical analysis process
id: OBI_0302911

Experimental design
type: Class
subclass of: Plan specification
id: OBI_0500000
has exact synonym: Study design

Age
type: Class
subclass of: Physical property
id: PATO_0000011

Spatial pattern
type: Class
subclass of: Positional property
id: PATO_0000060

Height
type: Class
subclass of: Physical property
id: PATO_0000119

Length
type: Class
subclass of: Physical property
id: PATO_0000122

Orientation
type: Class
subclass of: Positional property
id: PATO_0000133

Positional property
type: Class
subclass of: Quality
id: PATO_0000140

Temperature
type: Class
subclass of: Physical property
id: PATO_0000146

Volume
type: Class
subclass of: Physical property
id: PATO_0000918

Width
type: Class
subclass of: Physical property
id: PATO_0000921

Density
type: Class
subclass of: Bulk property
id: PATO_0001019

Pressure
type: Class
subclass of: Physical property
id: PATO_0001025

Alignment
type: Class
subclass of: Positional property
id: PATO_0001652

Elevation
type: Class
subclass of: Positional property
id: PATO_0001687

Heat conductivity
type: Class
subclass of: Bulk property
id: PATO_0001756

Electrical conductivity
type: Class
subclass of: Bulk property
id: PATO_0001757

Dissolved
type: Class
subclass of: Chemical state property
id: PATO_0001986

Biomedical research reagent role
type: Class
subclass of: Equivalent things
id: REO_0000001

Product role
type: Class
subclass of: Reaction role
id: REO_0000865

Chemical process
type: Class
subclass of: ProcessualEntity
id: REX_0000001

Reaction process
type: Class
subclass of: Chemical process
id: REX_0000002

Range
type: Class
subclass of: Statistical datum
id: STATO_0000035

One-way ANOVA
type: Class
subclass of: Chemometric datum
has exact synonym: One-way analysis of variance
id: STATO_0000044

Two-way ANOVA
type: Class
subclass of: Chemometric datum
id: STATO_0000045

Number of points
type: Class
subclass of: Statistical datum
has exact synonym: Count
id: STATO_0000047

Signal to noise ratio
type: Class
subclass of: Analysis metric datum
comment: Reported for a specific concentration of analyte (which has a related signal amount)
hasAcronym: S/N
hasAcronym: SNR
id: STATO_0000050

F-test
type: Class
subclass of: Chemometric datum
id: STATO_0000086

Paired t-test
type: Class
subclass of: Chemometric datum
id: STATO_0000095

Variance
type: Class
subclass of: Statistical datum
id: STATO_0000113

Confidence interval
type: Class
subclass of: Statistical datum
id: STATO_0000196

Non-parametric test
type: Class
subclass of: Chemometric datum
id: STATO_0000198

Coefficient of variation
type: Class
subclass of: Statistical datum
hasAcronym: CV
hasAcronym: RSD
has exact synonym: Relative standard deviation
id: STATO_0000236
comment: Same as http://purl.obolibrary.org/obo/OBCS_0000081

Standard deviation
type: Class
subclass of: Statistical datum
id: STATO_0000237

Unit
type: Class
subclass of: Equivalent things
id: UO_0000000

Vendor
type: Class
subclass of: Agent
id: sep_00088

Event
type: Class
subclass of: ProcessualEntity
id: Event

SMILES string
type: Class
subclass of: Chemical identifier
subclass of: Structural descriptor
id: CHEMINF_000018

Molecular formula
type: Class
subclass of: Constitutional descriptor
id: CHEMINF_000042

Molecular entity name
type: Class
subclass of: Identifying descriptor
id: CHEMINF_000043

MOL file
type: Class
subclass of: Text data file
id: CHEMINF_000058

InChIKey
type: Class
subclass of: Chemical identifier
subclass of: Identifying descriptor
id: CHEMINF_000059

Identifying descriptor
type: Class
subclass of: Chemical descriptor
id: CHEMINF_000061

functional group
type: Class
subclass of: Structural descriptor

Structural descriptor
type: Class
subclass of: Chemical descriptor
id: CHEMINF_000085

IUPAC name
type: Class
subclass of: Structural descriptor
id: CHEMINF_000107

InChI
type: Class
subclass of: Chemical identifier
subclass of: Structural descriptor
id: CHEMINF_000113
has exact synonym: InChI string
has related synonym: Standard InChI

Chemical descriptor
type: Class
subclass of: Data item
id: CHEMINF_000123

Constitutional descriptor
type: Class
subclass of: Chemical descriptor
id: CHEMINF_000136

Substructure
type: Class
subclass of: Chemical entity
id: CHEMINF_000197

Chemical substance
type: Class
subclass of: Chemical entity
term editor: IUPAC
definition: Matter of constant composition best characterized by the entities (molecules, formula units, atoms) it is composed of. Physical properties such as density, refractive index, electric conductivity, melting point etc. characterize the chemical substance.
definition source: http://dx.doi.org/10.1351/goldbook.C01039

Parameter datum
type: Class
subclass of: Data item
id: SIO_000144

Term
type: Class
subclass of: Textual entity
id: SIO_000275

College
type: Class
subclass of: Organization
id: College

Committee
type: Class
subclass of: Group
id: Committee

Company
type: Class
subclass of: Agent
definition: A legally-recognized business organization
id: Company

Funding organization
type: Class
subclass of: Organization
id: FundingOrganization

Laboratory
type: Class
subclass of: Site
id: Laboratory

Principal investigator role
type: Class
subclass of: Person role
id: PrincipalInvestigatorRole

University
type: Class
subclass of: Organization
id: University

Electrical current
type: Class
subclass of: Electrical property
id: EFO_0000388

Continuant
type: Class
disjoint with: Occurrent

Dependent Continuant
type: Class
subclass of: Continuant

Generically dependent continuant
type: Class
subclass of: Dependent Continuant

Independent Continuant
type: Class
subclass of: Continuant

Material entity
type: Class
subclass of: Independent Continuant

Occurrent
type: Class

Quality
type: Class
subclass of: Specifically dependent continuant
has exact synonym: Property
id: Quality

Realizable entity
type: Class
subclass of: Specifically dependent continuant

Spatial Region
type: Class
subclass of: Continuant

Spatiotemporal Region
type: Class
subclass of: Occurrent
id: SpatiotemporalRegion

Specifically dependent continuant
type: Class
subclass of: Dependent Continuant

Connected temporal region
type: Class
subclass of: Temporal Region
id: ConnectedTemporalRegion

Temporal interval
type: Class
subclass of: Connected temporal region
id: TemporalInterval

Temporal Region
type: Class
subclass of: Occurrent
id: TemporalRegion

Mailing address
type: Class
subclass of: Communication item
id: Address

Email address
type: Class
subclass of: Communication item
id: Email

Fax
type: Class
subclass of: Communication item
id: Fax

Location
type: Class
subclass of: Communication item
id: Location

Telephone
type: Class
subclass of: Communication item
id: Telephone

Agent
type: Class
subclass of: Independent Continuant
id: Agent

Group
type: Class
subclass of: Agent
id: Group

Organization
type: Class
subclass of: Agent
id: Organization

Person
type: Class
subclass of: Agent
id: Person

Processual Entity

Spatiotemporal Region