Generative artificial intelligence in drug discovery: basic framework, recent advances, challenges, and opportunities

Generative artificial intelligence in drug discovery: basic framework, recent advances, challenges, and opportunities

There are two main ways to discover or design small drug molecules. The first involves fine-tuning existing molecules or commercially successful drugs through quantitative structure-activity relationships and virtual screening. The second approach involves generating new molecules through de novo dr...

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Bibliographic Details
Main Authors: Amit Gangwal, Azim Ansari, Iqrar Ahmad, Abul Kalam Azad, Vinoth Kumarasamy, Vetriselvan Subramaniyan, Ling Shing Wong
Format: Article
Language:English
Published: Frontiers Media S.A. 2024-02-01
Series:Frontiers in Pharmacology
Subjects:
ChatGPT
de novo drug design
deep generative models
AlphaFold
variational autoencoders
generative adversarial network
Online Access:https://www.frontiersin.org/articles/10.3389/fphar.2024.1331062/full

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