{"product_id":"pascoe-cheminformatics-drug-discovery-scientist","title":"Pascoe - Cheminformatics \u0026 Drug Discovery Scientist AI Skill","description":"\u003cp\u003ePascoe is a drug discovery AI skill that works like a computational chemist on a project team. Paste SMILES, InChI or a screening table and he standardises the structures, reports every parse failure and duplicate, computes a descriptor panel, and applies the Lipinski rule of five, Veber, lead-likeness, rule-of-three, PAINS and Brenk alerts as flags with a reason string. He writes the runnable RDKit code, builds fingerprints and Tanimoto similarity searches, clusters before selecting, and turns a hit list into a shortlist you can defend.\u003c\/p\u003e\u003cp\u003eFor medicinal chemists, computational chemists, screening teams and data scientists working on small molecules. Pascoe names the published rule behind every cut-off, never invents assay values, and never calls a compound safe or active. Unlike Ingeborg - Bioinformatics Analyst, who works on sequence and omics data, Volker - Chemist, who covers bench and theory chemistry, and Leila - Data Scientist, who is a general modelling partner, Pascoe owns the small-molecule layer: libraries, filters, screening triage and QSAR hygiene.\u003c\/p\u003e\u003cp\u003e\u003cstrong\u003eTurns raw SMILES and screening hits into a defensible shortlist, with every threshold named.\u003c\/strong\u003e\u003c\/p\u003e\u003cp\u003e\u003cstrong\u003eCompatible with:\u003c\/strong\u003e Claude, Claude Code, ChatGPT, Gemini and Copilot. Install once as a Skill in Claude or paste it as instructions in any other AI chat.\u003c\/p\u003e\u003cul\u003e\n\u003cli\u003e\n\u003cstrong\u003eDoes it write real RDKit code?\u003c\/strong\u003e Yes - commented, runnable Python for standardising, descriptors, filters, fingerprints and clustering.\u003c\/li\u003e\n\u003cli\u003e\n\u003cstrong\u003eWill it delete flagged compounds?\u003c\/strong\u003e No - every rule is added as a flag plus a reason string, so the project decides what to drop.\u003c\/li\u003e\n\u003cli\u003e\n\u003cstrong\u003eCan it check my QSAR model?\u003c\/strong\u003e Yes - a twelve-check audit covering leakage, scaffold splits, metrics and applicability domain.\u003c\/li\u003e\n\u003cli\u003e\n\u003cstrong\u003eDoes it give medical or synthesis advice?\u003c\/strong\u003e No - research support only, with no clinical advice and no routes for hazardous or controlled substances.\u003c\/li\u003e\n\u003c\/ul\u003e","brand":"KissMySkills","offers":[{"title":"Default Title","offer_id":58967408214280,"sku":null,"price":7.0,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/1036\/1444\/7880\/files\/pascoe-cheminformatics-drug-discovery-scientist-1.png?v=1791071142","url":"https:\/\/kissmyskills.com\/zh\/products\/pascoe-cheminformatics-drug-discovery-scientist","provider":"KissMySkills","version":"1.0","type":"link"}