drug-discovery

What problem does it solve? Pharmaceutical research requires querying multiple public databases and applying drug-likeness rules manually, which is slow and error-prone. This Skill automates compound search, property calculation, interaction lookup, and ADMET reasoning using free public APIs. ## Core Features & Use Cases - Bioactive Compound Search: Query ChEMBL by target name or ID to retrieve bioactivity data with pChEMBL thresholds, no API key required. - Drug-Likeness Screening: Calculate Lipinski Ro5, Veber rules, TPSA, and QED for any compound via the PubChem API, with batch screening through the included ro5_screen.py script. - Safety & Interaction Lookup: Retrieve drug-drug interactions from OpenFDA labels and top reported adverse events from FDA event data. - Use Case: A medicinal chemist evaluating lead compounds for an EGFR inhibitor program can search ChEMBL for known actives, screen candidates against Ro5 and Veber rules, and check interaction liabilities in one workflow. ## Quick Start Ask the assistant to check whether aspirin passes the Lipinski Rule of Five and look up its known drug interactions.