Chemical Information Ontology
48 terms(s) returned
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- ACD/Labs PhysChem software library
- ACD/Labs PhysChem software library version 12.01
- ACD/Labs index name
- ALogP calculated by Pipeline Pilot
- ALogP descriptor
- absolute SMILES descriptor
- absolute configuration stereochemical descriptor
- acceptor field atoms (Boehm,Klebe)
- acceptors or donors field atoms (Boehm,Klebe)
- achiral
- acid dissociation constant
- acidic group count
- acyclic
- alanine count
- algorithm to calculate a chemical descriptor
- algorithm to calculate a molecular descriptor
- algorithm to interpret a connection table
- amino acid count
- arginine count
- aromatic
- aromatic atom count
- aromatic bond count
- aromatic cycle count
- aromaticity
- aromaticity descriptor
- asparagine count
- aspartate count
- atmospheric OH rate constant
- atom count
- atom counting algorithm
- atom stereocenter count
- atomic QSAR descriptor
- atomic charge density descriptor
- atomic connectivity index
- atomic connectivity molecular structure encoding format specification
- atomic degree
- atomic hardness descriptor
- atomic mass descriptor
- atomic order
- atomic polarizability sum
- atomic quality
- atomic radius
- atomic softness descriptor
- atomic valence
- autoignition temperature descriptor
- average molecular weight calculated by RDKit software library version 2015_09_2
- average molecular weight descriptor
- average molecular weight descriptor calculated by ACD/Labs PhysChem software library version 12.01