Article

Latent Diffusion for Conditional Generation of Molecules

2024-08-22

Abstract excerpt

<h4> A bstract </h4> <h4>Design: </h4> ing a small molecule therapeutic is a challenging multi-parameter optimization problem. Key properties, such as potency, selectivity, bioavailability, and safety must be jointly optimized to deliver an effective clinical candidate. We present COATI-LDM, a novel application of latent diffusion models to the conditional generation of property-optimized, drug-like small molec...

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Literature Corpus work: 256487fa-e450-5479-b1aa-629d519531cb
DOI: 10.1101/2024.08.22.609169

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