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PROVESID

PROVESID is a Python package for chemical identifier resolution, property retrieval, and local dataset lookup across multiple chemistry data systems.

What PROVESID Covers

PROVESID includes interfaces for online APIs and local/offline databases.

Online interfaces

  • PubChemAPI for PUG-REST queries (compound, substance, assay, and identifier workflows)
  • PubChemView for experimental property extraction with references and tabular outputs
  • NCIChemicalIdentifierResolver for identifier conversion through NCI resolver endpoints
  • CASCommonChem for CAS Common Chemistry lookups
  • ChEBI for ChEBI API access
  • OPSIN and PYOPSIN for chemical name-to-structure conversion
  • ClassyFireAPI for chemical taxonomy/classification

Offline and local dataset interfaces

  • CheMBL local SQLite interface (auto-download supported)
  • PubChemID local SQLite identifier database (CID/CAS/InChI/InChIKey and metadata)
  • CompToxID local SQLite interface (auto-download supported)
  • ZeroPM local SQLite interface (auto-download supported)
  • REACHDossierID local REACH dossier dataset lookup
  • ChebiSDF local ChEBI SDF parser

Use uv as the primary installation workflow:

uv pip install provesid

For development from source:

git clone https://github.com/USEtox/PROVESID.git
cd PROVESID
uv pip install -e .

uv is recommended because PROVESID can work with large local data files and database assets. Using uv helps avoid repeated package/data copies across many environments.

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Tutorials

API Reference