Medicinal chemistry filters for compound triage. Apply drug-likeness rules (Lipinski rule of five, Veber, Oprea, CNS, lead-like, rule of three), structural alert catalogs (PAINS a/b/c, NIBR screening-deck severity, Brenk, BMS, Glaxo, Dundee, ChEMBL common alerts), ZINC-15 percentile complexity metrics (Bertz, SAscore, QED, Whitlock, Barone), chemical-group detection, Lilly demerits, and the…
安装
npx skills add K-Dense-AI/drug-discovery-agent-skills --skill medchemnpx skills add K-Dense-AI/drug-discovery-agent-skills --skill medchem -a claude-code -gnpx skills add K-Dense-AI/drug-discovery-agent-skills --skill medchem -a codex -ggemini skills install https://github.com/K-Dense-AI/drug-discovery-agent-skills.git --path skills/medchemgh skill install K-Dense-AI/drug-discovery-agent-skills medchemgit clone --depth 1 https://github.com/K-Dense-AI/drug-discovery-agent-skills /tmp/K-Dense-AI__drug-discovery-agent-skills
mkdir -p ~/.claude/skills ~/.agents/skills
cp -R /tmp/K-Dense-AI__drug-discovery-agent-skills/skills/medchem ~/.claude/skills/medchem # Claude Code
cp -R /tmp/K-Dense-AI__drug-discovery-agent-skills/skills/medchem ~/.agents/skills/medchem # Codex, Cursor, Gemini CLI, Copilot, OpenCode