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What if hitting multiple drug targets wasn’t a problem to solve, but an advantage to exploit? I’ll be exploring that idea at the #marimo Community Call on April 9, 3–4PM ET — covering drug discovery with a compound-first approach. RSVP at the link! #chemistry #drugDiscovery #notebook #python #RDKit #sqlite

When reviewing data to find pharma compounds for virtual screening, we might want to check what their target profiles and rank candidates by how many Lipinski's rule of five violations they have--the fewer the better. This post uses the ChEMBL API and a SQLite database to do that. alt text