09 February 2022 c0599beca8df55873a1ab061dee64e52c510c6a0 OntoSpecies is an ontology developed for representing chemical species. 1 http://purl.org/gc http://purl.org/gc http://purl.org/gc http://purl.org/gc http://purl.org/gc http://www.daml.org/2003/01/periodictable/PeriodicTable A relation that defines that a species or molecular entity contains a chemical element. http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl A relation that defines a combined representation of a number indicating the amount of an element in a species and the element. http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl A relation that defines the number of atoms of a given element contained in a species or molecular entity. http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl A relation between a species or molecular entity and the overall net charge of this species or molecular entity in units of elementary charge http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl A relation between a species or molecular entity and the chemical formula describing the relative number of each constituting chemical element of the species or molecular entity. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl A relation between a species or molecular entity and the chemical formula describing the number of atoms of each constituting chemical element of the species or molecular entity. http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl A relation between a species or molecular entity and the total mass of one mole of this species or molecular entity in g/mol http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl A phase for which the standard enthalpy of formation is defined. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl A relation between the standard enthalpy of formation and its provenance information. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl A relation that defines the temperature at which the value of a property is estimated. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl A relation that defines the standard enthalpy of formation of a given species. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl http://purl.org/gc A number that indicates the amount of an element in a species. http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl Simplified Molecular Input Line Entry System. A form of line notation for codifying the structure of a chemical species using short ASCII strings. In ChEBI, http://purl.obolibrary.org/obo/chebi/smiles is defined as an annotation property. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl A numerical identifier designed to uniquely identify all chemical substances. Also in PeriodicTable, http://www.daml.org/2003/01/periodictable/PeriodicTable#casRegistryID is defined as a data type property. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl The overall net charge of a molecule. In ChEBI, http://purl.obolibrary.org/obo/chebi/charge is defined as an annotation property. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl The date when a web page was accessed. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl The data property that represents the bonds between all atoms in a species. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl The canonical position of an atom in a species. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl The data property that represents the geometry of species. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl An identifier designed to codify chemical species, molecules or substances. In ChEBI, http://purl.obolibrary.org/obo/chebi/inchi is defined as an annotation property. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl A fixed-length representation of InChI. In ChEBI, http://purl.obolibrary.org/obo/chebi/inchikey is defined as an annotation property. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl The combined masses of all atoms of a molecule. In ChEBI, http://purl.obolibrary.org/obo/chebi/mass is defined as an annotation property. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl The PubChem Compound Identifier (CID) number taken from their database of chemical molecules and their activities in biological assays. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl The spin multiplicity is equal to the number of alpha electrons, minus beta electrons, plus 1. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl The value of a property. Also in OntoCAPE, http://www.theworldavatar.com/ontology/ontocape/upper_level/system.owl#value is designed as a data type property. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl An alternative name of a chemical species, molecule or substance. http://www.w3.org/2004/02/skos/core http://purl.org/gc http://purl.org/gc http://purl.org/gc http://purl.org/gc An atom or isotope. http://www.daml.org/2003/01/periodictable/PeriodicTable A combined representation of a number indicating the amount of an element in a species and the element. http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl The overall net charge of a molecule or ion in units of elementary charge. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl A chemical formula that indicates the relative number of each constituting chemical element of a species or molecular entity. http://www.theworldavatar.com/ontology/ontocape/material/substance/substance.owl A chemical compound formula expressing the number of atoms of each element present in a compound, without indicating how they are linked. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl The mass of one mole of a species in units of g/mol. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl "An ensemble of chemically identical molecular entities" (McNaught & Wilkinson, 1997). http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl The energy required to form 1 mole of a substance from its constituent elements. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl A�measure of the average amount of energy of motion, or kinetic energy, a system contains" (Chemistry LibreTexts, accessed on 11/11/2019). http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl The address of a web page that describes a resource. http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl