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Chemical database techniques in drug discovery

Nat Rev Drug Discov. 2002 Mar;1(3):220-7. doi: 10.1038/nrd745.

Abstract

Chemical databases are becoming a powerful tool in drug discovery. Database searches based on possible requirements for biological activity can identify compounds that might be suitable for further analysis or indicate novel ways to achieve the desired activity. What considerations are involved in the construction and searching of chemical databases?

Publication types

  • Review

MeSH terms

  • Databases, Factual*
  • Drug Design
  • Models, Molecular
  • Molecular Conformation
  • Neurotransmitter Agents / chemistry
  • Pharmaceutical Preparations / chemistry*
  • gamma-Aminobutyric Acid / chemistry

Substances

  • Neurotransmitter Agents
  • Pharmaceutical Preparations
  • gamma-Aminobutyric Acid