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 bioactive compound searches, molecular property calculations, and drug interaction lookups through free public APIs. ## Core Features & Use Cases - Bioactive Compound Search: Query ChEMBL by target name or ID to retrieve compounds with bioactivity data filtered by pChEMBL thresholds. - Drug-Likeness Screening: Calculate Lipinski Rule of Five, Veber rules, TPSA, and QED scores for any compound via the PubChem API, including batch screening of multiple molecules. - Safety & Interaction Lookup: Retrieve drug-drug interactions from OpenFDA labels and top reported adverse events, plus gene-disease associations from OpenTargets. - 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 in batch, and check FDA adverse event profiles in one workflow. ## Quick Start Ask the agent to screen aspirin, ibuprofen, and a candidate molecule against Lipinski's Rule of Five and report which compounds pass oral bioavailability criteria.
