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"CASTELO: Clustered Atom Subtypes aidEd Lead Optimization - a combined ..."
Leili Zhang et al. (2020)
- Leili Zhang, Giacomo Domeniconi, Chih-Chieh Yang, Seung-gu Kang, Ruhong Zhou, Guojing Cong:
CASTELO: Clustered Atom Subtypes aidEd Lead Optimization - a combined machine learning and molecular modeling method. CoRR abs/2011.13788 (2020)
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