Computational Methods in Medicinal Chemistry, Pharmacology, and Toxicology - Softcover

Softcover

ISBN 10: 0443330247 ISBN 13: 9780443330247

Publisher: Academic Press, 2025

Synopsis

Computational Methods in Medicinal Chemistry, Pharmacology, and Toxicology is a comprehensive resource that offers an advanced overview of computational techniques employed in drug discovery, design, and toxicity prediction. The book discusses various topics, including molecular modeling, virtual screening, machine learning, and network pharmacology. It serves as an essential guide for researchers, practitioners, and students in pharmacology, toxicology, medicinal chemistry, bioinformatics, and systems biology fields, showcasing practical applications and future perspectives on new technologies. In addition to covering computational approaches, the book provides real-world examples of drug discovery, candidate optimization, and safety assessment.

Other sections explore computer applications in pharmacology and toxicology and discusses the importance of these methods in advancing medicinal research.

• Offers comprehensive coverage of computational methods that are relevant to pharmacology and toxicology, including molecular modeling, virtual screening, machine learning, and network pharmacology
• Includes practical examples and case studies that demonstrate how these methods can be applied in drug discovery, design, and toxicity prediction
• Discusses emerging trends and future directions in the field of computational pharmacology and toxicology that can help readers stay up-to-date with the latest advances and anticipate future developments

About this title

About the Author

Muhammad Ishfaq holds a Doctor of Veterinary Medicine (DVM), a Master’s degree (MSc), and a PhD in basic veterinary medicine, specializing in Veterinary Pharmacology and Toxicology. He was previously an associate professor at Huanggang Normal University, Hubei, China. He is currently a visiting research scientist at the Department of Medicinal Chemistry, University of Michigan in Ann Arbor, Michigan, USA. His research areas of interest are in silico pharmacology, machine learning, computational pharmacology and toxicology, drug targets, QSAR/QSPR modeling, and cheminformatics. Dr. Ishfaq has published several research articles in various prestigious international journals. He has also served as a volunteer reviewer for various international prestigious and peer-reviewed journals. He is currently working on the connection of diseases to specific bio-targets using various cell and tissue cultures, proteomics, bioinformatics, imaging studies, machine learning-based drug discovery and design and the development of cutting-edge technology on AI integrating biomedical big data that search for drugs targeting various diseases to save endangered species. More specifically, he works at the interface of veterinary pharmacology, toxicology, medicinal chemistry, and biodiversity conservation.

From the Back Cover

Computational Methods in Medicinal Chemistry, Pharmacology, and Toxicology is a comprehensive book that provides a state-of-the-art overview of computational methods in drug discovery, design, and toxicity prediction. The book covers a wide range of topics in computational techniques and approaches, computer applications in pharmacology and toxicology, and future perspectives on new technologies. The coverage includes molecular modeling, virtual screening, machine learning, and network pharmacology as well as examples of how these methods can be applied to the discovery of new drugs, in the optimization of drug candidates, and the assessment of drug safety and toxicity. It will be a valuable resource for researchers, practitioners, and students in the fields of pharmacology, toxicology, medicinal chemistry, bioinformatics, and systems biology.

Edition details

• Publisher: Academic Press
• Publication date: 2025
• Language: English
• ISBN 10: 0443330247
• ISBN 13: 9780443330247
• Binding: Paperback
• Number of pages: 308
• Editor: Ishfaq