]> 1.0 Egon Willighagen Janna Hastings Michel Dumontier The chemical information ontology (cheminf) describes information entities about chemical entities. It provides qualitative and quantitative attributes to richly describe chemicals. application/rdf+xml chemical information ontology (cheminf) - information entities about chemical entities en Leonid Chepelev http://creativecommons.org/licenses/by/3.0 To develop the ontology, you must change the default auto-create settings in Protege 4. Go to file>preferences>New Entities. Change the following: specified URI = http://semanticscience.org/resource/ Followed by '/', End with : AutoID AutoID - digit count = 6, prefix = CHEMINF_ has specified input has specified output has output has input has attribute is attribute of is variant of has uncertainty value has value BODO:Algorithm chemical graph A chemical graph is a structural descriptor in which the connectivity and constitution of the chemical entity are described in terms of a mathematical graph, usually with atoms as vertices and bonds as edges, but other variants exist. parameter data item A parameter data item is a data item that plays the role of a parameter to a software method. numeric data item A numeric data item is a data item which has a value which is numeric. textual data item A textual data item is a data item which has a value that has at least some non-numeric characters included in it. numeric parameter textual parameter software message data item A software message data item is a data item that plays the role of a message generated by a software implementation, for example, an error, warning or success message. warning message error message success message numeric data format specification A numeric data format specification is a data format specification for data items which are numeric, that is, they contain only numeric values. textual data format specification A textual data format specification is a specification of the format of data items which are textual, that is, they consist of character data. numeric chemical descriptor textual chemical descriptor chemical substance descriptor chemical entity CHEBI:24431 A chemical entity is any molecular entity or chemical substance. molecular entity information format specification A molecular entity information format specification is an information content entity which specifies a format in which information about a molecular entity should be encoded. file software implementation PubChem compound identifier (CID) PubChem substance identifier (SID) software module Is this equivalent to IAO 'source code module' (IAO_0000096) on the same level as 'software'? From the textual definition in IAO it seems fairly close. (JH) A software module is a collection of software methods. software method A software method (also called subroutine, subprogram, procedure, method, function, or routine) is a programming language implementation of a plan specification which is capable of realizing some objective specification when part of a software application. software library A software library is a collection of programming language mplementations (e.g. modules, methods) capable of realizing some objective specification when linked to a application software. software application A software application is a programming language implementation of a plan specification capable of realizing some objective specification. software module to calculate a molecular descriptor A software module to calculate a molecular descriptor is software module that implements an algorithm which calculates a descriptor value for a molecular entity. ChEBI name A ChEBI name is a preferred name annotated by the ChEBI database. The ChEBI name has the additional feature that it is unique within the ChEBI dataset. BODO:Descriptor NOTE: QSAR descriptors are often just called 'chemical descriptor' or 'molecular descriptor' in the cheminformatics community.