Machine Learning and Deep Learning in Drug Design by Kunal Roy

Machine Learning and Deep Learning in Drug Design by Kunal Roy

Machine learning (ML) and deep learning (DL) are reshaping the landscape of drug design. This comprehensive volume explores how these technologies are applied across the entire drug discovery pipeline—from target identification and protein structure prediction to virtual screening, pharmacokinetic modelling, and drug repurposing. Bridging cheminformatics, chemometrics, and computational science, the book offers practical case studies, emerging methodologies, and curated e-resources. Readers will discover how ML/DL techniques are used to predict drug–target interactions, optimize molecular properties, repurpose previously used drugs, and design multi-target therapeutics. Special topics include chemical language models, natural product-based drug discovery, and modelling drug-induced toxicities. With contributions from leading experts worldwide, this book is an essential resource for researchers, postgraduate students, and professionals in medicinal chemistry, pharmacology, and pharmaceutical sciences. It provides both foundational knowledge and advanced applications, equipping readers to harness AI for innovative and efficient drug development.

SKU	Unavailable
ISBN 13	9781837070183
ISBN 10	1837070180
Title	Machine Learning and Deep Learning in Drug Design
Author	Kunal Roy
Series	Drug Discovery Series
Condition	Unavailable
Binding Type	Hardback
Publisher	Royal Society of Chemistry
Year published	2026-07-22
Number of pages	772
Cover note	Book picture is for illustrative purposes only, actual binding, cover or edition may vary.