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Introduction to QSAR v3.0
Source PCCAL, University of Nottingham
ISBN: 1 84211 012 3
Versions Available Internet
Programmer Joe Cutting
Subject Specialists Cristina De Matteis, Nick Shaw, Julie Calder
Summary
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Screen shot from the package
This package aims to cover the basics of drug design using Quantitative Structure Activity Relationships (QSARs).

The package introduces the concept together with practicalities such as what a QSAR can and cannot be used for and how one is generated using multiple linear regression techniques.

The package then goes on to cover the theoretical basis behind several substituent constants, that is :-

  1. The Hammett electronic substituent constant (s).
  2. Variants on the Hammett electronic substituent constant (s-,s+ and s*).
  3. The Taft steric substituent constant (Es).
  4. The Hansch / Fujita hydrophobicity substituent constant (p).

The aim of the package is not to teach students all there is to know about QSARs but rather to give them a gentle introduction to the basic concepts behind the subject, in particular the mathematics which they tend to find difficult.

Contents
Introduction to QSAR
The Hammett Substituent Constant
More Substituent Constants
Hansch Analysis