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.

概念整理者: Chloe Harris

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所显示的语言根据本页内容确定；源资料可能仅为部分概念提供译名。

英语
PubChem software library未评级
GGA Indigo未评级
textual chemical descriptor未评级
defined atom stereocenter count generated by the pubchem software library未评级
LipidMaps identifier未评级
donor field atoms (Boehm,Klebe)未评级
rule of three passes calculation algorithm未评级
medchem friendly descriptor calculated by pipeline pilot未评级
chemical name validation未评级
hydrogen bond donor count calculated by RDKit software library version 2015_09_2未评级
chi path indices未评级
RDKit software library version 2015_09_2未评级
pH descriptor未评级
minimum explosive concentration descriptor未评级
CRID registry curation未评级
LexiChem version 2.2.0未评级
gravitational index未评级
logD descriptor未评级
chemical name deprecation未评级
molecular formula calculated by ACD/Labs PhysChem software library version 12.01未评级
connection table interpretation information data item未评级
metal element mass descriptor未评级
lower explosive limit descriptor未评级
proton total partial charge未评级
total formal charge calculated by the pubchem software library未评级
number of rule of five violations calculated by ACD/Labs PhysChem software library version 12.01未评级
numeric data item未评级
partition coefficient未评级
structural validation information data item未评级
specific surface area未评级
PubChem software library version 2.1未评级
weighted path未评级
molar volume calculated by ACD/Labs PhysChem software library version 12.01未评级
information data item未评级
BCUT未评级
Cactvs software library未评级
pubchem depositor-supplied molecular entity name未评级
index of refraction calculated by ACD/Labs PhysChem software library version 12.01未评级
connection table interpretation warning未评级
upper explosive limit descriptor未评级
InChI software library version 1.0.4未评级
partial sigma charge未评级
molecular formula calculated by RDKit software library version 2015_09_2未评级
ChemSpider unvalidated synonym未评级
software method未评级
logD calculated at pH 5.5 by ACD/Labs PhysChem software library version 12.01未评级
bioconcentration factor at pH 7.4 calculated by ACD/Labs PhysChem software library version 12.01未评级
International Non-proprietary Name未评级
vapour pressure calculated by ACD/Labs PhysChem software library version 12.01未评级
TPSA calculated by cactvs未评级
relative density descriptor未评级
local chemical sample symbol未评级
number of rule of five violations calculated by RDKit software library version 2015_09_2未评级
CRID devalidation未评级
hydrogen bond donor count calculated by cactvs未评级
curator role未评级
average molecular weight calculated by RDKit software library version 2015_09_2未评级
OEChem software library未评级
Pipeline Pilot Server Version 8.5.0未评级
software module to calculate a molecular descriptor未评级
local chemical structure symbol未评级
chemical database identifier未评级
InChIKey generated by software version 1.0.4未评级
file未评级
monoisotopic molecular weight descriptor calculated by ACD/Labs PhysChem software library version 12.01未评级
molecular distance edge未评级
proton belonging to a pi-system未评级
average molecular weight descriptor calculated by ACD/Labs PhysChem software library version 12.01未评级
valence connectivity index (order 0)未评级
chemical name devalidation未评级
partial total charge (MMFF94)未评级
ALogP calculated by Pipeline Pilot未评级
Henry's Law constant未评级
bond partial total charge未评级
polarizability calculated by ACD/Labs PhysChem software library version 12.01未评级
InChI calculated by library version 1.0.4未评级
organic carbon adsorption coefficient at pH 7.4 calculated by ACD/Labs PhysChem software library version 12.01未评级
flash point calculated by ACD/Labs PhysChem software library version 12.01未评级
bond sigma electronegativity未评级
evaporation rate descriptor未评级
Moreau-Broto autocorrelation (polarizability) descriptors未评级
energy band gap未评级
algorithm to interpret a connection table未评级
molecular weight of the corresponding free base未评级
Unique Ingredient Identifier未评级
atmospheric OH rate constant未评级
PDB structure identifier未评级
structural standardization warning未评级
hydrogen bond acceptor count calculated by cactvs未评级
polar surface area calculated by ACD/Labs PhysChem software library version 12.01未评级
rule of five violations descriptor未评级
molecular formula calculated by the pubchem software library未评级
carbon types未评级
bioconcentration factor at pH 5.5 calculated by ACD/Labs PhysChem software library version 12.01未评级
numeric parameter未评级
chi chain indices未评级
rule of three passes descriptor未评级
validated chemical database identifier未评级
total polar surface area calculated by RDKit software library version 2015_09_2未评级
WHIM未评级

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