home/categories/computational-chemistry/spectrai-initiative-innoclaw-claude-skills-lead-compound-optimization-skill-md
computational-chemistryresearch
lead-compound-optimization
Lead Compound Optimization - Optimize a lead compound: validate SMILES, compute drug-likeness, predict ADMET properties, and check ChEMBL bioactivity. Use this skill for medicinal chemistry tasks involving is valid smiles calculate mol drug chemistry pred molecule admet search activity. Combines 4 tools from 3 SCP server(s).
maintainer
SpectrAI-Initiative
Atualizado 4/2/2026
Estrelas
371
Forks
23
quick start
Installation and usage
Lead Compound Optimization - Optimize a lead compound: validate SMILES, compute drug-likeness, predict ADMET properties, and check ChEMBL bioactivity. Use this skill for medicinal chemistry tasks involving is valid smiles calculate mol drug chemistry pred molecule admet search activity. Combines 4 tools from 3 SCP server(s).
Instalação
$ install --globalskills.sh
Uso
Depois de instalar, você pode usar esta skill executando o seguinte comando no terminal:
skills use lead-compound-optimization