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"CASTELO: clustered atom subtypes aided lead optimization - a combined ..."

Leili Zhang et al. (2021)

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DOI: 10.1186/S12859-021-04214-4

access: open

type: Journal Article

metadata version: 2021-07-06

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  dblp key:
  - journals/bmcbi/ZhangDYKZC21
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  - https://dblp.org/rec/journals/bmcbi/ZhangDYKZC21
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. BMC Bioinform. 22(1): 338 (2021)

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