Article

De-novo generation of novel phenotypically active molecules for Chagas disease from biological signatures using AI-driven generative chemistry

2021-12-12

Abstract excerpt

Designing novel molecules with targeted biological activities and optimized physicochemical properties is a challenging endeavor in drug discovery. Recent developments in artificial intelligence have enhanced the early steps of de novo drug design and compound optimization. Herein, we present a generative adversarial network trained to design new chemical matter that satisfies a given biological signature. Our mo...

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Literature Corpus work: a9dbb0f3-e295-51d1-be2c-0b6b9969fc28
DOI: 10.1101/2021.12.10.472084

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De-novo generation of novel phenotypically active molecules for Chagas disease from biological signatures using AI-driven generative chemistryDOI 10.1101/2021.12.10.472084Read

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