Machine learning-based QSAR and LB-PaCS-MD guided design of SARS-CoV-2 main protease inhibitors
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Published:2024-09
Issue:
Volume:110
Page:129852
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ISSN:0960-894X
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Container-title:Bioorganic & Medicinal Chemistry Letters
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language:en
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Short-container-title:Bioorganic & Medicinal Chemistry Letters
Author:
Toopradab BorwornlakORCID,
Xie WantingORCID,
Duan Lian,
Hengphasatporn KowitORCID,
Harada Ryuhei,
Sinsulpsiri SilpsiriORCID,
Shigeta YasuteruORCID,
Shi Liyi,
Maitarad PhornphimonORCID,
Rungrotmongkol Thanyada