API reference¶
Every page here is generated from the docstrings in src/provesid/, and every
example on it is run as a doctest. Everything listed is importable from
provesid itself unless the page says otherwise.
Resolving identifiers¶
Search |
resolve CAS numbers, names, SMILES, InChIs, InChIKeys, DTXSIDs and formulas across the offline databases |
datasets |
install, inspect and remove the offline databases |
Offline databases¶
| Client | Reads | Dataset |
|---|---|---|
PubChemID |
PubChem compounds with a CAS number | pubchem |
CompToxID |
EPA CompTox chemicals | comptox |
ChebiSDF |
ChEBI's SDF release | chebi |
CheMBL |
ChEMBL | chembl |
ZeroPM |
the ZeroPM global inventory | zeropm |
REACHDossierID |
REACH dossiers | ships with the package |
SQLiteClient |
what the four SQLite clients share |
Online services¶
| Client | Service |
|---|---|
PubChemAPI |
PubChem PUG-REST |
PubChemView |
PubChem PUG-View experimental properties |
NCIChemicalIdentifierResolver |
NCI/CADD resolver (CACTUS) |
ChEBI |
ChEBI 2.0 REST |
CASCommonChem |
CAS Common Chemistry (needs a key) |
OPSIN, PYOPSIN |
OPSIN name-to-structure, online or local |
Classification¶
provesid.taxonomy |
offline ChEBI classification with Chebifier (optional) |
Infrastructure¶
provesid.http |
the transport every online client shares |
provesid.cache |
the on-disk cache of online answers |
provesid.config |
stored API keys |
provesid.tools, provesid.utils |
the consensus vote behind Search, and small helpers |