Introduction to Chemoinformatics in Drug Discovery - A Personal View

Garland R. Marshall

doi:10.1002/3527603743.ch1

Introduction to Chemoinformatics in Drug Discovery - A Personal View

Garland R. Marshall

Research output: Chapter in Book/Report/Conference proceeding › Foreword/postscript

7 Scopus citations

Abstract

This chapter contains sections titled: Introduction Historical Evolution Known versus Unknown Targets Graph Theory and Molecular Numerology Pharmacophore Active-Analog Approach Active-Site Modeling Validation of the Active-Analog Approach and Active-Site Modeling PLS/CoMFA Prediction of Affinity Protein Structure Prediction Structure-Based Drug Design Real World Pharmaceutical Issues Combinatorial Chemistry and High-throughput Screens Diversity and Similarity Prediction of ADME Failures to Accurately Predict Summary.

Original language	English
Title of host publication	Chemoinformatics in Drug Discovery
Publisher	Wiley Blackwell
Pages	1-22
Number of pages	22
Volume	23
ISBN (Electronic)	9783527603749
ISBN (Print)	9783527307531
DOIs	https://doi.org/10.1002/3527603743.ch1
State	Published - May 19 2005

Keywords

Active-analog approach
Active-site modeling
Chemoinformatics in drug discovery
Graph theory and molecular numerology
High-throughput screens
PLS/CoMFA
Pharmacophore
Protein structure prediction
Structure-based drug design

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10.1002/3527603743.ch1

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title = "Introduction to Chemoinformatics in Drug Discovery - A Personal View",

abstract = "This chapter contains sections titled: Introduction Historical Evolution Known versus Unknown Targets Graph Theory and Molecular Numerology Pharmacophore Active-Analog Approach Active-Site Modeling Validation of the Active-Analog Approach and Active-Site Modeling PLS/CoMFA Prediction of Affinity Protein Structure Prediction Structure-Based Drug Design Real World Pharmaceutical Issues Combinatorial Chemistry and High-throughput Screens Diversity and Similarity Prediction of ADME Failures to Accurately Predict Summary.",

keywords = "Active-analog approach, Active-site modeling, Chemoinformatics in drug discovery, Graph theory and molecular numerology, High-throughput screens, PLS/CoMFA, Pharmacophore, Protein structure prediction, Structure-based drug design",

author = "Marshall, \{Garland R.\}",

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doi = "10.1002/3527603743.ch1",

language = "English",

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Y1 - 2005/5/19

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AB - This chapter contains sections titled: Introduction Historical Evolution Known versus Unknown Targets Graph Theory and Molecular Numerology Pharmacophore Active-Analog Approach Active-Site Modeling Validation of the Active-Analog Approach and Active-Site Modeling PLS/CoMFA Prediction of Affinity Protein Structure Prediction Structure-Based Drug Design Real World Pharmaceutical Issues Combinatorial Chemistry and High-throughput Screens Diversity and Similarity Prediction of ADME Failures to Accurately Predict Summary.

KW - Active-analog approach

KW - Active-site modeling

KW - Chemoinformatics in drug discovery

KW - Graph theory and molecular numerology

KW - High-throughput screens

KW - PLS/CoMFA

KW - Pharmacophore

KW - Protein structure prediction

KW - Structure-based drug design

UR - https://www.scopus.com/pages/publications/84867590753

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DO - 10.1002/3527603743.ch1

M3 - Foreword/postscript

AN - SCOPUS:84867590753

SN - 9783527307531

VL - 23

SP - 1

EP - 22

BT - Chemoinformatics in Drug Discovery

PB - Wiley Blackwell

ER -

Introduction to Chemoinformatics in Drug Discovery - A Personal View

Abstract

Keywords

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