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A comprehensive review of molecular optimization in artificial intelligence‐based drug discovery

Abstract Drug discovery is aimed to design novel molecules with specific chemical properties for the treatment of targeting diseases. Generally, molecular optimization is one important step in drug discovery, which optimizes the physical and chemical properties of a molecule. Currently, artificial i...

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Autors principals: Yuhang Xia, Yongkang Wang, Zhiwei Wang, Wen Zhang
Format: Artigo
Idioma:Inglês
Publicat: Wiley 2024-03-01
Col·lecció:Quantitative Biology
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Accés en línia:https://doi.org/10.1002/qub2.30
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