Introduction to cheminformatics

Curr Protoc Bioinformatics. 2007 Jun:Chapter 14:Unit 14.1. doi: 10.1002/0471250953.bi1401s18.

Abstract

Cheminformatics is a relatively new field of information technology that focuses on the collection, storage, analysis, and manipulation of chemical data. The chemical data of interest typically includes information on small molecule formulas, structures, properties, spectra, and activities (biological or industrial). Cheminformatics originally emerged as a vehicle to help the drug discovery and development process, however cheminformatics now plays an increasingly important role in many areas of biology, chemistry, and biochemistry. The intent of this unit is to give readers some introduction into the field of cheminformatics and to show how cheminformatics not only shares many similarities with the field of bioinformatics, but that it can also enhance much of what is currently done in bioinformatics.

Publication types

  • Research Support, Non-U.S. Gov't
  • Review

MeSH terms

  • Biochemistry / methods
  • Biochemistry / trends*
  • Biopolymers / chemistry*
  • Computational Biology / methods
  • Computational Biology / trends*
  • Computer Simulation
  • Databases, Factual*
  • Models, Chemical*
  • Models, Molecular*

Substances

  • Biopolymers