FragOPT: An ML-Driven Computational Workflow for Rational Fragments Optimization Toward Lead Compounds
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DOI: https://doi.org/10.1021/acs.jcim.5c01225
文献链接: https://pubs.acs.org/doi/10.1021/acs.jcim.5c01225
其他信息:
出版社: American Chemical Society (ACS)
作者: Xiaoyan Wu; Luming Meng; Jianqiang Zheng; Junwen Huang; Yongbin Huang; Bingfeng Wang; Boping Liu; Yulong Jin
全文下载地址: https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.5c01225