Nantilus
An introduction to chemoinformatics
Chemoinformatics draws upon techniques from many disciplines including computer science, mathematics, computational chemistry and data visualisation to tackle these problems. This, the first text written specifically for this field, aims to provide an introduction to the major techniques of chemoinf...
Enregistré dans:
| Auteurs principaux : | , |
|---|---|
| Format : | Livre |
| Langue : | anglais |
| Titre complet : | An introduction to chemoinformatics / by Andrew R. Leach,... and Valerie J. Gillet,... |
| Édition : | revised edition |
| Publié : |
Dordrecht :
Springer
, C 2007 Melton : VLeBooks , 2007 |
| Accès en ligne : |
Accès Nantes Université
Accès direct soit depuis les campus via le réseau ou le wifi eduroam soit à distance avec un compte @etu.univ-nantes.fr ou @univ-nantes.fr |
| Note sur l'URL : | Attention, l'accès à la ressource est limité à 3 utilisations simultanées |
| Sujets : | |
| Documents associés : | Autre format:
An introduction to chemoinformatics |
| Résumé : | Chemoinformatics draws upon techniques from many disciplines including computer science, mathematics, computational chemistry and data visualisation to tackle these problems. This, the first text written specifically for this field, aims to provide an introduction to the major techniques of chemoinformatics. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature. The book is aimed at graduate students, final-year undergraduates, and professional scientists. No prior knowledge is assumed other than a familiarity with chemistry and some basic mathematical concepts. |
|---|---|
| Bibliographie : | Bibliogr. p. [217]-244. Index. |
| ISBN : | 978-1-4020-6291-9 |