An Artificial Intelligence Framework for Optimal Drug Design

Abstract excerpt

We introduce the concept of optimal drug design (ODD) as the use of an AI framework to optimize the exposure, safety, and efficacy of drugs. To exemplify the concept of ODD, we developed an artificial intelligence framework that integrates de novo molecular design, quantitative structure activity relationships, and pharmacokinetic-pharmacodynamic modeling. Specifically, our computational architecture has integrate...

Topics

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• Bioinformatics and Genomic Networks
• Cholinesterase and Neurodegenerative Diseases
• Computational Drug Discovery Methods

Identifiers and source

Literature Corpus work

3dea5632-c09e-5541-8c1a-a9b216272fd5

DOI

10.1101/2022.10.29.514379