Artificial Intelligence/Machine Learning-Driven Small Molecule Repurposing via Off-Target Prediction and Transcriptomics

The process of discovering small molecule drugs involves screening numerous compounds and optimizing the most promising ones, both in vitro and in vivo. However, approximately 90% of these optimized candidates fail during trials due to unexpected toxicity or insufficient efficacy. Current concepts w...

Full description

Bibliographic Details

Published in:	Toxics
Main Authors:	Mohan Rao, Eric McDuffie, Clifford Sachs
Format:	Article
Language:	English
Published:	MDPI AG 2023-10-01
Subjects:	drug repurposing off-target prediction AI/ML cheminformatics transcriptomics due diligence
Online Access:	https://www.mdpi.com/2305-6304/11/10/875