Artificial Intelligence in Drug Toxicity Prediction: Recent Advances, Challenges, and Future Perspectives

Tuyet Van Tran, Thi; Surya Wibowo, Agung; Tayara, Hilal; To Chong, Kil

doi:10.1021/acs.jcim.3c00200

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Artificial Intelligence in Drug Toxicity Prediction: Recent Advances, Challenges, and Future Perspectives

Published in Journal of Chemical Information and Modeling • Apr 26, 2023

Authors:

Thi Tuyet Van Tran

Agung Surya Wibowo

Hilal Tayara

Abstract

Toxicity prediction is a critical step in the drug discovery process that helps identify and prioritize compounds with the greatest potential for safe and effective use in humans, while also reducing the risk of costly late-stage failures. It is estimated that over 30% of drug candidates are discard...

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Computer science

Drug discovery

Drug toxicity

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