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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

huifer
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huifer
Mis à jour 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

Installation
$ install --globalskills.sh
Utilisation

Après l'installation, vous pouvez utiliser ce skill en exécutant la commande suivante dans votre terminal :

skills use structure-search