{"product_id":"recent-computational-techniques-in-de-novo-drug-design-von-undefined","title":"Recent Computational Techniques in De Novo Drug Design","description":"\n                                \n                \u003cp\u003e\n                                         “\n                    \n                    \u003cem\u003eRecent Computational Techniques in De Novo Drug Design\u003c\/em\u003e\n                                        ” 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.\n                \n                \u003c\/p\u003e\n                                \n                \n                \u003cp\u003eThe chapters start by introducing the basics of de novo drug design and explain how it differs from virtual screening and QSAR methods. The book describes the shift from rule-based techniques to those driven by artificial intelligence that use a wide range of molecular data. The content is organized into sections on structure-based and ligand-based methods, MD and QM approaches, deep learning applications, and case studies from different therapeutic areas.\u003c\/p\u003e\n                            \n            \u003cdiv class=\"aw-variant-hidden-subtitle-div\" id=\"aw-variant-subtitle-9783032204271\"\u003e\u003ch3\u003e\u003c\/h3\u003e\u003c\/div\u003e","brand":"Autorenwelt Shop","offers":[{"title":"Hardcover - 9783032204271","offer_id":58186343776581,"sku":"9783032204271","price":181.89,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0940\/0622\/files\/ebdf196b-4abf-487a-bb98-3367d99e5146.jpg?v=1780807557","url":"https:\/\/shop.autorenwelt.de\/en\/products\/recent-computational-techniques-in-de-novo-drug-design-von-undefined","provider":"Autorenwelt Shop","version":"1.0","type":"link"}