Table 4 Name, version, and corresponding CHEMINF term ID for software libraries used to calculate chemical properties of PubChem compound
From: PubChemRDF: towards the semantic annotation of PubChem compound and substance databases
Name | Versiona | CHEMINF term ID |
|---|---|---|
PubChem | 2.1 | CHEMINF_000333 |
OEChem | 1.9.0 | CHEMINF_000429 |
LexiChem | 2.2.0 | CHEMINF_000384 |
Cactvs | 3.408 | CHEMINF_000386 |
XLogP3 | 3.0 | CHEMINF_000394 |
InChI | 1.0.4 | CHEMINF_000398 |