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Ligand Efficiency Indices for Drug Discovery
 
 

Ligand Efficiency Indices for Drug Discovery, 1st Edition

Towards an Atlas-Guided Paradigm

 
Ligand Efficiency Indices for Drug Discovery, 1st Edition,Celerino Abad-Zapatero,ISBN9780124046351
 
 
 

  

Academic Press

9780124046351

9780124046825

178

229 X 152

A guided 'mini-atlas' of the content of Chemico-Biological Space with snapshots, postcards and views of the chemistry and biology related to pharmacology, medicine and drug-discovery 

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Key Features

  • Provides a practical and timely discussion of the concepts, ideas, applications and examples of efficiency-driven drug discovery
  • Emphasizes the use of ‘new variables’ and more objective numerical methods to drive quicker and more effective drug discovery
  • Presents the definition of Ligand Efficiency Indices (LEIs) and the corresponding efficiency planes as key concepts to provide a graphical and numerical framework

Description

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.

Readership

Researchers, new professionals and graduate students in medicinal chemistry, drug discovery and pharmaceutical sciences

Celerino Abad-Zapatero

Affiliations and Expertise

PhD, Adjunct Professor to the Graduate Faculty, Center for Pharmaceutical Biotechnology, University of Illinois at Chicago, Chicago, IL

Ligand Efficiency Indices for Drug Discovery, 1st Edition

Introduction
PART 1: The Elements: Data, Variables, Concept and the Server
PART 2: Conceptual Applications of the AtlasCBS: A New Paradigm
PART 3:  Exploring CBS: Practical Examples Using the AtlasCBS Server
References
Epilogue
Appendix I.
Appendix II.

Quotes and reviews

"For those interested in a fresh interpretation of the utility of ligand efficiency indexes for drug discovery, this book serves as a nice introduction to a more modern, graphical approach to drug lead identification."--Doody.com, August 16, 2013
"Abad-Zapatero presents a novel approach to drug discovery that is based on the notion that a change of variables is necessary. The algebraic framework he proposes combines the affinity between ligands and targets with the physico-chemical properties of the ligands to construct a set of novel variables that can map chemico-biological space (CBS) and optimize the drug-discovery process."--Reference and Research Book News, August 2013

 
 
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