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computational-chemistryresearch
structure-search
Structure-based similarity search and scaffold analysis for drug discovery. Use for lead hopping, scaffold morphing, and chemical space exploration. Keywords: similarity search, scaffold hopping, chemical space, fingerprint, Tanimoto
maintainer
huifer
Atualizado 1/4/2026
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quick start
Installation and usage
Structure-based similarity search and scaffold analysis for drug discovery. Use for lead hopping, scaffold morphing, and chemical space exploration. Keywords: similarity search, scaffold hopping, chemical space, fingerprint, Tanimoto
Instalação
$ install --globalskills.sh
Uso
Depois de instalar, você pode usar esta skill executando o seguinte comando no terminal:
skills use structure-search