Chemometric Methods in Molecular Design (Methods and Principles in Medicinal Chemistry, Vol 2)

Description

The statistical analysis of experimental and theoretical data lies at the heart of modern drug design. This practice–oriented handbook is a comprehensive account of modern chemometric methods in molecular design. It presents strategies for making more rational choices in the planning of syntheses, and describes techniques for analyzing biological and chemical data. Written by the world′s experts, it provides in–depth information on
∗ molecular concepts
∗ experimental design in the planning of syntheses
∗ multivariate analysis of chemical and biological data
∗ statistical validation of QSAR results

An additional benefit: the book contains a critical survey of commercially available software packages both for statistical analysis as well as for special applications.

Industrial and academic researches in medicinal chemistry and organic chemistry will value this book as a useful source of information for their daily work.

Also available: Advanced Computer–Assisted Techniques in Drug Discovery, edited by H. van de Waterbeemd

From the Back Cover
Edited by R. Mannhold, P. Krogsgaard–Larsen, H. Timmerman Chemometric Methods in Molecular Design Edited by Han van de Waterbeemd Volume 2 The statistical analysis of experimental and theoretical data lies at the heart of modern drug design. This practice–oriented handbook is a comprehensive account of modern chemometric methods in molecular design. It presents strategies for making more rational choices in the planning of syntheses, and describes techniques for analyzing biological and chemical data. Written by the world’s experts, it provides in–depth information on
molecular concepts
experimental design in the planning of syntheses
multivariate analysis of chemical and biological data
statistical validation of QSAR results
An additional benefit: the book contains a critical survey of commercially available software packages both for statistical analysis as well as for special applications. Industrial and academic researches in medicinal chemistry and organic chemistry will value this book as a useful source of information for their daily work. Also available: Advanced Computer–Assisted Techniques in Drug Discovery, edited by H. van de Waterbeemd.


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