
Applied Chemoinformatics
Description
Alles über E-Books | Antworten auf Fragen rund um E-Books, Kopierschutz und Dateiformate finden Sie in unserem Info- & Hilfebereich.
The authors explain methods and software tools, such that the reader will not only learn the basics but also how to use the different software packages available. Experts describe applications in such different fields as structure-spectra correlations, virtual screening, prediction of active sites, library design, the prediction of the properties of chemicals, the development of new cosmetics products, quality control in food, the design of new materials with improved properties, toxicity modeling, assessment of the risk of chemicals, and the control of chemical processes.
The book is aimed at advanced students as well as lectures but also at scientists that want to learn how chemoinformatics could assist them in solving their daily scientific tasks.
Together with the corresponding textbook Chemoinformatics - Basic Concepts and Methods (ISBN 9783527331093) on the fundamentals of chemoinformatics readers will have a comprehensive overview of the field.
More details
Other editions
Additional editions


Persons
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).
Content
Introduction
QSAR
Prediction of Physicochemical Properties
Chemical Reactions
Structure-Spectra Correlations and CASE
Drug Discovery
Computational Approaches in Agricultural Research
Chemoinformatics in Modern Regulatory Science
Chemoinformatics/Chemometrics in Analytical Chemistry
Chemoinformatics in Food Chemistry
Computational Approaches in Cosmetics Products Discovery
Chemoinformatics in Material Science
Process Control and Soft Sensors
Future Perspectives
System requirements
File format: PDF
Copy-Protection: Adobe-DRM (Digital Rights Management)
System requirements:
- Computer (Windows; MacOS X; Linux): Install the free reader Adobe Digital Editions prior to download (see eBook Help).
- Tablet/smartphone (Android; iOS): Install the free app Adobe Digital Editions or the app PocketBook before downloading (see eBook Help).
- E-reader: Bookeen, Kobo, Pocketbook, Sony, Tolino and many more (only limited: Kindle).
The file format PDF always displays a book page identically on any hardware. This makes PDF suitable for complex layouts such as those used in textbooks and reference books (images, tables, columns, footnotes). Unfortunately, on the small screens of e-readers or smartphones, PDFs are rather annoying, requiring too much scrolling.
This eBook uses Adobe-DRM, a „hard” copy protection. If the necessary requirements are not met, unfortunately you will not be able to open the eBook. You will therefore need to prepare your reading hardware before downloading.
Please note: We strongly recommend that you authorise using your personal Adobe ID after installation of any reading software.
For more information, see our eBook Help page.