modelability

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NanoBiostructuresRG-lab / chemvault

CHEMVAULT is a cheminformatics application for the construction, curation, and modelability assessment of target-centered molecular bioactivity datasets from PubChem. It stores target-associated bioassays, compounds, and structured activity records in SQLite together with their provenance and processing history.

bioactivity-data pubchem-bioassays structure-harmonization modelability

Updated Oct 14, 2026
Python

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