AutoDesigner, a De Novo Design Algorithm for Rapidly Exploring Large Chemical Space for Lead Optimization: Application to the Design and Synthesis of d-Amino Acid Oxidase Inhibitors
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DOI: 10.1021/acs.jcim.2c00072
Abstract: The lead optimization stage of a drug discovery program generally involves the design, synthesis, and assaying of hundreds to thousands of compounds. The design phase is usually carried out via traditional medicinal chemistry approaches and/or… read more here.
Keywords: lead optimization; design; chemical space; autodesigner ... See more keywords