eBook Ligand Efficiency Indices for Drug Discovery, 1st Edition

  • Published By:
  • ISBN-10: 0124046827
  • ISBN-13: 9780124046825
  • DDC: 615.19
  • Grade Level Range: College Freshman - College Senior
  • 178 Pages | eBook
  • Original Copyright 2013 | Published/Released June 2014
  • This publication's content originally published in print form: 2013
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About

Overview

The purpose of Ligand Efficiency Indices for Drug Discovery: Towards an Atlas-Guided Paradigm is to introduce in a concise and self-contained form the concepts, ideas, applications and examples of efficiency-driven drug discovery to the biomedical community at large. The book emphasizes the use of ’new variables’ and more objective numerical methods to drive drug discovery in an encompassing way. These ’new variables’ are based on Ligand Efficiency Indices (LEIs) formulated in a way that permits mapping Chemico-Biological Space (CBS) in an Atlas-like representation. It provides a practical and timely discussion of the concepts, ideas, applications and examples of efficiency-driven drug discovery. This book emphasizes the use of a graphical representation and objective numerical methods to drive drug discovery more effectively. It presents the definition of LEIs and the corresponding efficiency planes within an atlas-like environment to provide a robust graphical and numerical framework for medicinal chemists and drug-discoverers.

Table of Contents

Front Cover.
Half Title Page.
Title Page.
Copyright Page.
Dedication.
Contents.
Acknowledgments.
Prologue.
Introduction.
1: The Elements: Data, Variables, Concept, and the Server.
2: Structure–Activity Databases for Medicinal Chemistry.
3: The Variables:Definitions of Ligand Efficiency Indices.
4: The AtlasCBS Concept.
5: The AtlasCBS Application.
6: Conceptual Applications of the AtlasCBS: A New Paradigm.
7: Analysis of the Content of SAR Databases.
8: Fragment-Based Strategies.
9: Navigating in Chemicobiological Space.
10: Exploring CBS: Practical Examples Using the AtlasCBS Server.
11: Sightseeing Chemicobiological Space.
Epilogue.
Appendix A: Algebraic Derivations.
Appendix B: Conversion Factors Among Various Ligand Efficiency Indices.