Open Ontology Resource Library / cheminf

Chemical Information Ontology (CHEMINF)

Name: Chemical Information Ontology (CHEMINF)
Published: 2026-11-13T13:53:14.353535Z

Selected English labels and exact synonyms from the Chemical Information Ontology (CHEMINF), retrieved 2026-11-07, with source identifiers and spelling preserved. Licensed CC0 1.0; full attribution is listed under Sources. Under semantic review; not endorsed by the ontology's maintainers.

Curator: Chloe Harris

Languages shown reflect this page; source translations may cover only some concepts.

English
tautomer count calculated by cactvsUnrated
execution of ACD/Labs PhysChem software library version 12.01Unrated
IUPAC Name generated by LexiChemUnrated
molecular species at pH 7.4 descriptorUnrated
rule of three passes calculated by pipeline pilotUnrated
metal atom countUnrated
ChemSpider validated synonymUnrated
molecular weight calculated by the pubchem software libraryUnrated
OEChem software library version 1.7.6Unrated
enthalpy of vaporization calculated by ACD/Labs PhysChem software library version 12.01Unrated
ACD/Labs PhysChem software library version 12.01Unrated
molar refractivity calculated by ACD/Labs PhysChem software library version 12.01Unrated
group of an atomUnrated
structural alert countUnrated
Kier and Hall kappa molecular shape indicesUnrated
moments of inertiaUnrated
odor detection threshold descriptorUnrated
structure complexity calculated by cactvsUnrated
Lipinski rule of five violation calculation algorithmUnrated
TAE RECON descriptors for amino acid sequencesUnrated
specific gravity descriptorUnrated
RDKit software libraryUnrated
valence carbon connectivity index (order 0)Unrated
freezing point descriptorUnrated
hydrogen bond acceptors (Daylight)Unrated
numeric data format specificationUnrated
medchem friendly descriptorUnrated
pi-contact of two atomsUnrated
organic carbon adsorption coefficient at pH 5.5 calculated by ACD/Labs PhysChem software library version 12.01Unrated