Introduction to Chemoinformatics in Drug Discovery - A Personal View

Research output: Chapter in Book/Report/Conference proceedingForeword/postscript

5 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 languageEnglish
Title of host publicationChemoinformatics in Drug Discovery
PublisherWiley Blackwell
Pages1-22
Number of pages22
Volume23
ISBN (Electronic)9783527603749
ISBN (Print)9783527307531
DOIs
StatePublished - 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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