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Recent Computational Techniques in de Novo Drug Design

Recent Computational Techniques in de Novo Drug Design

Hardcover

Series: Bio-It and AI

Medical ReferenceChemistryGeneral Computers

Currently unavailable to order

ISBN10: 3032204275
ISBN13: 9783032204271
Publisher: Springer
Published: May 15 2026
Pages: 343
Weight: 1.47
Height: 0.93 Width: 6.49 Depth: 9.31
Language: English
Recent Computational Techniques in De Novo Drug Design gives a thorough overview of modern computational methods used to discover new chemical compounds. The book looks at how fragment-based design, evolutionary algorithms, free-energy-guided optimization, and deep generative models have helped advance molecular discovery. It also discusses important challenges such as synthetic accessibility and ADME/Tox issues. The book explains how structural bioinformatics, cheminformatics, and machine learning work together to speed up hit generation and lead optimization in both academic and industry settings.

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General Computers