
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
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