home/categories/computational-chemistry/spectrai-initiative-innoclaw-claude-skills-substructure-activity-search-skill-md
computational-chemistryresearch
substructure-activity-search
Substructure-Activity Relationship - Analyze substructure-activity: ChEMBL substructure search, activity data, PubChem compounds, and similarity. Use this skill for medicinal chemistry tasks involving get substructure by smiles search activity search pubchem by smiles calculate smiles similarity. Combines 4 tools from 3 SCP server(s).
maintainer
SpectrAI-Initiative
更新於 4/2/2026
星標
371
分支
23
quick start
Installation and usage
Substructure-Activity Relationship - Analyze substructure-activity: ChEMBL substructure search, activity data, PubChem compounds, and similarity. Use this skill for medicinal chemistry tasks involving get substructure by smiles search activity search pubchem by smiles calculate smiles similarity. Combines 4 tools from 3 SCP server(s).
安裝
$ install --globalskills.sh
使用
安裝後，您可以通過在終端運行以下命令來使用此技能：
skills use substructure-activity-search