Molecular render representing ChemBounce

ChemBounce

Fragment-based scaffold hopping and lead optimization

ChemBounce hops between molecular scaffolds by fragment replacement and growth, generating structurally diverse analogs while preserving predicted activity. It steers generation toward high synthetic accessibility and property targets. Used for lead optimization when patentability or novelty requires scaffold changes.

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At a glance

Input
Reference molecule (SMILES)
Output
Diverse analogs (SMILES)
Developed by
Korea Research Institute of Chemical Technology
Published
Jang et al., Bioinformatics 2025 · 2025
#fragment-based#scaffold-hopping#optimization