Overview

QSAR and Molecular Modeling includes all the fundamentals of these approaches developed so far. Starting with the fundamentals of drug-receptor interactions, it covers various statistical approaches, different 2D QSAR methodologies, theories and values of useful variables governing biological activities, and popular 3D molecular modeling approaches. The book comprehensively covers these topics in one text.

Full Product Details

Author:   Satya Prakash Gupta
Publisher:   Springer-Verlag New York Inc.
Imprint:   Springer-Verlag New York Inc.
Edition:   1st ed. 2101
ISBN:  

9781402053948

ISBN 10:   1402053940
Pages:   400
Publication Date:   March 2007
Audience:   College/higher education ,  Undergraduate ,  Postgraduate, Research & Scholarly
Format:   Hardback
Publisher's Status:   Active
Availability:   Awaiting stock  
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Table of Contents

Introduction.- History and Development .-Drug-Receptor Interaction .- Statistical Analysis .-Multiple Linear Regression (MLR) Analysis.- Significance of MLR.-analysis.- Discriminant Analysis, Simple and Multiple.- Principal Component Analysis and Factor Analysis .- Partial Least Square Analysis.- Pattern Recognition.- 2D QSAR.-Hansch Analysis.- Free-Wilson Analysis.- Discriminant Analysis: Examples.-Pattern Recognition: Examples.- The Distance Geometry Approach.-Cluster Analysis.-Fibbinicci Search.- Molecular Shape Analysis (MSA).- Minimal Steric Difference (MSD).- Minimal Topological Difference (MTD).- Hypothetical Active Site Lattice .-HASL).- Neural Network.- Parameters.-Hydrophobic Parameters.- Electronic.-Parameters.- Steric Parameters.-Topological Parameters.- Indicator .-arameters.- 3D QSAR.-Pharmacophore-Based Model.- Molecular Docking.- De Novo Ligand Design.- Molecular Similarity.- Comparative Molecular Field Analysis (CoMFA).- Molecular Shape Analysis.

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Author Information

The author has 30 years experience of working in this field and has written several reviews on the topics in various reputed periodicals like Chemical Reviews, Progress in Drug Research, Current Medicinal Chemistry etc.

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