An Introduction to Generative Drug Discovery

By: Sean Ekins

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eText | 27 January 2025 | Edition Number 1

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This book focuses on the latest advances in computational de novo drug discovery methods, also known as generative drug discovery. This book describes the state-of-the-art methods and applications for de novo design of drug candidates using generative chemistry models as well as the ethical aspects of this technology. It will provide a foundation for those new to the field as well as those that may already have some experience of its utility. With contributions from scientists in both academia and industry 'an Introduction to Generative Drug Discovery' may represent one of the earliest if not the first book to focus on this topic. This book focuses on the latest advances in generative discovery methods. This book will describe different state of the art applications of generative molecule design. The book describes ethical aspects of generative drug discovery technology. The mix of academic and industrial authors provides an array of applications of generative drug discovery. A future perspective of where these generative technologies may take us in drug discovery is described included self-driving labs.