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Open Ontology Resource Library / cheminf

Chemical Information Ontology (CHEMINF)

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

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

English
PubChem software libraryUnrated
GGA IndigoUnrated
textual chemical descriptorUnrated
defined atom stereocenter count generated by the pubchem software libraryUnrated
LipidMaps identifierUnrated
donor field atoms (Boehm,Klebe)Unrated
rule of three passes calculation algorithmUnrated
medchem friendly descriptor calculated by pipeline pilotUnrated
chemical name validationUnrated
hydrogen bond donor count calculated by RDKit software library version 2015_09_2Unrated
chi path indicesUnrated
RDKit software library version 2015_09_2Unrated
pH descriptorUnrated
minimum explosive concentration descriptorUnrated
CRID registry curationUnrated
LexiChem version 2.2.0Unrated
gravitational indexUnrated
logD descriptorUnrated
chemical name deprecationUnrated
molecular formula calculated by ACD/Labs PhysChem software library version 12.01Unrated
connection table interpretation information data itemUnrated
metal element mass descriptorUnrated
lower explosive limit descriptorUnrated
proton total partial chargeUnrated
total formal charge calculated by the pubchem software libraryUnrated
number of rule of five violations calculated by ACD/Labs PhysChem software library version 12.01Unrated
numeric data itemUnrated
partition coefficientUnrated
structural validation information data itemUnrated
specific surface areaUnrated
PubChem software library version 2.1Unrated
weighted pathUnrated
molar volume calculated by ACD/Labs PhysChem software library version 12.01Unrated
information data itemUnrated
BCUTUnrated
Cactvs software libraryUnrated
pubchem depositor-supplied molecular entity nameUnrated
index of refraction calculated by ACD/Labs PhysChem software library version 12.01Unrated
connection table interpretation warningUnrated
upper explosive limit descriptorUnrated
InChI software library version 1.0.4Unrated
partial sigma chargeUnrated
molecular formula calculated by RDKit software library version 2015_09_2Unrated
ChemSpider unvalidated synonymUnrated
software methodUnrated
logD calculated at pH 5.5 by ACD/Labs PhysChem software library version 12.01Unrated
bioconcentration factor at pH 7.4 calculated by ACD/Labs PhysChem software library version 12.01Unrated
International Non-proprietary NameUnrated
vapour pressure calculated by ACD/Labs PhysChem software library version 12.01Unrated
TPSA calculated by cactvsUnrated
relative density descriptorUnrated
local chemical sample symbolUnrated
number of rule of five violations calculated by RDKit software library version 2015_09_2Unrated
CRID devalidationUnrated
hydrogen bond donor count calculated by cactvsUnrated
curator roleUnrated
average molecular weight calculated by RDKit software library version 2015_09_2Unrated
OEChem software libraryUnrated
Pipeline Pilot Server Version 8.5.0Unrated
software module to calculate a molecular descriptorUnrated
local chemical structure symbolUnrated
chemical database identifierUnrated
InChIKey generated by software version 1.0.4Unrated
fileUnrated
monoisotopic molecular weight descriptor calculated by ACD/Labs PhysChem software library version 12.01Unrated
molecular distance edgeUnrated
proton belonging to a pi-systemUnrated
average molecular weight descriptor calculated by ACD/Labs PhysChem software library version 12.01Unrated
valence connectivity index (order 0)Unrated
chemical name devalidationUnrated
partial total charge (MMFF94)Unrated
ALogP calculated by Pipeline PilotUnrated
Henry's Law constantUnrated
bond partial total chargeUnrated
polarizability calculated by ACD/Labs PhysChem software library version 12.01Unrated
InChI calculated by library version 1.0.4Unrated
organic carbon adsorption coefficient at pH 7.4 calculated by ACD/Labs PhysChem software library version 12.01Unrated
flash point calculated by ACD/Labs PhysChem software library version 12.01Unrated
bond sigma electronegativityUnrated
evaporation rate descriptorUnrated
Moreau-Broto autocorrelation (polarizability) descriptorsUnrated
energy band gapUnrated
algorithm to interpret a connection tableUnrated
molecular weight of the corresponding free baseUnrated
Unique Ingredient IdentifierUnrated
atmospheric OH rate constantUnrated
PDB structure identifierUnrated
structural standardization warningUnrated
hydrogen bond acceptor count calculated by cactvsUnrated
polar surface area calculated by ACD/Labs PhysChem software library version 12.01Unrated
rule of five violations descriptorUnrated
molecular formula calculated by the pubchem software libraryUnrated
carbon typesUnrated
bioconcentration factor at pH 5.5 calculated by ACD/Labs PhysChem software library version 12.01Unrated
numeric parameterUnrated
chi chain indicesUnrated
rule of three passes descriptorUnrated
validated chemical database identifierUnrated
total polar surface area calculated by RDKit software library version 2015_09_2Unrated
WHIMUnrated
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