Apply Lipinski, Veber, and PAINS filters to chemical compounds.
npx skills add https://github.com/hxk622/TokenDance --skill medchem-hxk622
Please help me install this Agent Skill. Skill: medchem Source: https://github.com/hxk622/TokenDance/tree/main/backend/app/skills/builtin/scientific/chemistry/medchem Command: npx skills add https://github.com/hxk622/TokenDance --skill medchem-hxk622
This Skill streamlines the process of evaluating and prioritizing chemical compounds in drug discovery by applying established medicinal chemistry rules and filters.
Use the medchem skill to apply the Rule of Five and common alerts filter to the provided molecule SMILES string 'CCO'.
High-intent search queries and answers about installing and using this skill.
To apply Lipinski's Rule of Five for drug discovery, use this Skill to process chemical compounds and evaluate oral bioavailability. It applies established medicinal chemistry rules to filter molecules based on drug-likeness criteria.
Identifying PAINS structural alerts in a compound library involves applying specific filters to remove problematic substructures. This Skill applies PAINS and NIBR filters to detect assay interference or toxicity risks in molecules.
Yes, you can use the datamol and medchem libraries to prioritize compounds for lead optimization. This Skill utilizes these dependencies to apply stricter complexity metrics and drug-likeness rules for selecting promising candidates.
Filtering a large library of synthesized compounds reduces downstream experimental costs by applying medicinal chemistry rules. This Skill quickly triages thousands of molecules down to a few hundred meeting basic drug-likeness and structural alert criteria.
Yes, this molecular filtering approach supports Veber's rules for predicting oral bioavailability. The Skill applies Veber's rules alongside Lipinski's criteria to assess the drug-likeness of chemical compounds.
InternScienceConvert IUPAC chemical names to SMILES strings via OPSIN.
felixboehmSubmit protein sequences for automated experimental assays and computational optimization.
yf8578Apply medicinal chemistry filters to chemical compounds with RDKit and datamol.
LeonChaoXFilter compound libraries by drug-likeness rules and structural alerts.
