Revolutionizing pharmacology: AI-powered approaches in molecular modeling and ADMET prediction

Revolutionizing pharmacology: AI-powered approaches in molecular modeling and ADMET prediction

The fusion of Artificial intelligence (AI) with computational chemistry has revolutionized drug discovery by enhancing compound optimization, predictive analytics, and molecular modeling. This review explores the integration of AI techniques, including machine learning (ML), deep learning (DL), and...

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Bibliographic Details
Main Authors: Irfan Pathan, Arif Raza, Adarsh Sahu, Mohit Joshi, Yamini Sahu, Yash Patil, Mohammad Adnan Raza, Ajazuddin
Format: Article
Language:English
Published: Elsevier 2025-12-01
Series:Medicine in Drug Discovery
Subjects:
Virtual screening
Computational chemistry
Molecular modeling
ADMET prediction
Drug discovery
Predictive toxicology
Online Access:http://www.sciencedirect.com/science/article/pii/S259009862500020X
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