Handbook of Chemoinformatics Algorithms by Jean-Loup Faulon

Handbook of Chemoinformatics Algorithms by Jean-Loup Faulon

Unlike in the related area of bioinformatics, few books currently exist that document the techniques, tools, and algorithms of chemoinformatics. Bringing together worldwide experts in the field, the Handbook of Chemoinformatics Algorithms provides an overview of the most common chemoinformatics algorithms in a single source. After a historical perspective of the applications of algorithms and graph theory to chemical problems, the book presents algorithms for two-dimensional chemical structures and three-dimensional representations of molecules. It then focuses on molecular descriptors, virtual screening methods, and quantitative structure–activity relationship (QSAR) models, before introducing algorithms to enumerate and sample chemical structures. The book also covers computer-aided molecular design, reaction network generation, and open source software and database technologies. The remaining chapters describe techniques developed in the context of bioinformatics and computational biology and their potential applications to chemical problems. This handbook presents a selection of algorithms relevant in practice, making the book useful to those working in the field. It offers an up-to-date account of many algorithmic aspects of chemoinformatics.

Jean-Loup Faulon is a professor in the Department of Biology at the University of Evry in France.

Andreas Bender is an assistant professor in the Leiden/Amsterdam Center for Drug Research (LACDR) at Leiden University in the Netherlands.

SKU	Nicht verfügbar
ISBN 13	9781420082920
ISBN 10	1420082922
Titel	Handbook of Chemoinformatics Algorithms
Autor	Jean-Loup Faulon
Serie	Chapman And Hall Crc Computational Biology Series
Buchzustand	Nicht verfügbar
Bindungsart	Hardback
Verlag	Taylor & Francis Ltd
Erscheinungsjahr	2010-04-21
Seitenanzahl	452
Hinweis auf dem Einband	Die Abbildung des Buches dient nur Illustrationszwecken, die tatsächliche Bindung, das Cover und die Auflage können sich davon unterscheiden.