Artificial Intelligence for Drug Design - Couverture rigide

Couverture rigide

ISBN 10 : 9819525241 ISBN 13 : 9789819525249

Editeur : Springer Verlag, Singapore, 2026

Synopsis

This book focuses on the application of artificial intelligence in drug research and development, particularly its growing role in evaluating interactions between biological targets and drug molecules and optimizing drug design pathways. It offers a comprehensive structure divided into four parts: fundamentals of AI algorithms, data foundations and representations, AI driven drug design, and program code. The book systematically introduces key AI methodologies, highlights essential biomedical data resources, and presents data mining approaches based on artificial intelligence. Following the workflow of drug R&D, each chapter explains the basic principles and challenges of specific drug design steps and then reviews the corresponding advances in AI algorithms, supplemented by cross-disciplinary application examples. Readers will gain a clear understanding of how AI integrates into and accelerates the drug development process while reducing associated risks and costs, making the book particularly valuable for researchers and technical professionals engaged in life sciences and pharmaceutical R&D.

A propos du livre

À propos de l'auteur

Honglin Li, from Innovation Center for AI and Drug Discovery, East China Normal University. Dr. Honglin Li has dedicated significant time to addressing challenging, cutting-edge scientific problems in drug design and target discovery. He has developed more than ten drug design methods and software primarily focusing on methodological development and applied them to discover new targets and design promising compounds. The representative drug design methods and software suites include the graphical drug design software eSHAFTS and ePharmer, pioneered in China. Target discovery methods like PharmMapper and ChemMapper are popular, boasting a global user base of over 35,000. He has also developed several AI-based drug design methods, such as disease-target knowledge graph e-TSN, near-drug space exploration method CIRS, macrocyclic drug design method MacFormer, and online drug design platform iDrug. He has published over 210 papers in prestigious journals such as Nat. Commun., NAR, Adv. Sci., PNAS, STTT, Engineering, JMC, and other professional publications, accumulating more than 8,000 citations; filed applications for more than 118 invention patents (including 54 domestic authorizations and 13 foreign authorizations) and 15 software copyrights. He has transferred six drug candidates to pharmaceutical companies for pre-clinical research, and three of these drugs progressed to clinical trials.

 

Mingyue Zheng, from Shanghai Institute of Materia Medica, Chinese Academy of Sciences. Dr. Mingyue Zheng received his Ph.D. degree from Shanghai Institute of Materia Medica (SIMM), Chinese Acadamy of Sciences in 2006, majoring in computational drug design. He currently works as a Professor in State Key Laboratory of Drug Research at SIMM, where he focuses on artificial intelligence approaches for rational drug design and discovery. His research interests also encompass multidisciplinary studies in the fields of medicinal chemistry, cheminformatics, and computational biology. He has been engaged in the machine-learning based methodology development around the discovery and structural optimization of lead compounds, the assessment of drug ADME/T properties, as well as the application of the methods in practical drug design and discovery process. Till now, he has published more than 200 papers in Nat Comput Sci, Immunity, Nat Commun, Trends Pharmacol Sci, Circ Res, Protein & Cell, Nucleic Acids Res, etc.

Détails de l'édition

• Éditeur: Springer Verlag, Singapore
• Date d'édition: 2026
• Langue: anglais
• ISBN 10: 9819525241
• ISBN 13: 9789819525249
• Reliure: Relié
• Nombre de pages: 955
• Éditeur: Li Honglin, Zheng Mingyue, Zhu Feng, Bai Fang
• Coordonnées du fabricant: Springer Nature Customer Service Center GmbH; ProductSafety@springernature.com; ; Europaplatz 3; Heidelberg; 69115; Allemagne