Derivatization Design of Synthetically Accessible Space for Optimization: In Silico Synthesis vs Deep Generative Design.
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DOI: 10.1021/acsmedchemlett.0c00540
Abstract: Molecular design is of utmost importance in lead optimization programs ultimately determining the fate of the project and the speed to reach preclinical stage. Newly designed lead analogues or new chemotypes must successfully address the… read more here.
Keywords: generative design; derivatization design; optimization; silico synthesis ... See more keywords