The Interweaving of Cheminformatics and HTS

Methods Mol Biol. 2011:672:435-57. doi: 10.1007/978-1-60761-839-3_17.

Abstract

The aim of this chapter is to describe the stages of early drug discovery that can be assisted by techniques commonly used in the field of cheminformatics. In fact, cheminformatics tools can be applied all the way from the design of compound libraries and the analysis of HTS results, to the discovery of functional relationships between compounds and their targets.

MeSH terms

  • Animals
  • Drug Design
  • Drug Discovery
  • High-Throughput Screening Assays / methods*
  • Humans
  • Informatics / methods*
  • Small Molecule Libraries
  • Structure-Activity Relationship

Substances

  • Small Molecule Libraries