Chemoinformatics

Basic Concepts and Methods
1. Auflage 2018
ISBN: 978-3-527-33109-3
Verlag: WILEY-VCH

Buch, Englisch, 608 Seiten, Format (B × H): 170 mm x 244 mm, Gewicht: 1111 g

Von den Grundlagen zu Methoden - dieses Fachbuch, übersichtlich und didaktisch klar gegliedert, ist eine maßgebliche Handreichung mit allem Wissenswerten und Erläuterungen der Tools in diesem Fachgebiet.

Autoren/Hrsg.

Engel, Thomas

Gasteiger, Johann

Fachgebiete

• Naturwissenschaften Biowissenschaften Angewandte Biologie Bioinformatik
• Naturwissenschaften Chemie Organische Chemie Biochemie
• Naturwissenschaften Chemie Chemie Allgemein Pharmazeutische Chemie, Medizinische Chemie
• Naturwissenschaften Chemie Chemie Allgemein Chemometrik, Chemoinformatik

Inhaltsverzeichnis

Foreword
Introduction
Principles of Structure Representation
Computer Processing of Chemical Structures
The Data
Databases
Searching Chemical Structures
Calculation of Structure Descriptors
Computational Chemistry
Data Analysis
QSAR
Bioinformatics
Future Perspectives

Über Autor(innen)

Johann Gasteiger is Professor emeritus of Chemistry at the University of Erlangen-Nuremberg, Germany and the co-founder of "Computer-Chemie-Centrum". He has received numerous awards and is a member of several societies and editorial boards. His research interests are in the development of software for drug design, simulation of chemical reactions, organic synthesis design, simulation of spectra, and chemical information processing by neural networks and genetic algorithms.
 
Thomas Engel is is coordinator at the Department of Chemistry and Biochemistry of the Ludwig-Maximilians-Universität in Munich, Germany. He received his academic degrees at the University of Würzburg. Since 2001 he is lecturer at various universities promoting and establishing courses in scientific computing. He is also a member of the Chemistry-Information-Computer section (CIC) of the GDCh and the Molecular Graphics and Modeling Society (German section).