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Recent Computational Techniques in De Novo Drug Design by Arl... - 9783032204271

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Product Description

Recent Computational Techniques in De Novo Drug DesignAuthor(s): Arli Aditya Parikesit, Arif Nur Muhammad Ansori

Format: Hardback

Publisher: Springer Nature Switzerland AG, Switzerland

Imprint: Springer Nature Switzerland AG

ISBN-13: 9783032204271, 978-3032204271

Synopsis

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.

The chapters start by introducing the basics of de novo drug design and explain how it differs from virtual s.

Recent Computational Techniques in De Novo Drug Design by Arl... - 9783032204271

Recent Computational Techniques in De Novo Drug DesignAuthor(s): Arli Aditya Parikesit, Arif Nur Muhammad Ansori

Format: Hardback

Publisher: Springer Nature Switzerland AG, Switzerland

Imprint: Springer Nature Switzerland AG

ISBN-13: 9783032204271, 978-3032204271

Synopsis

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.

The chapters start by introducing the basics of de novo drug design and explain how it differs from virtual s.

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