ChEMBLSpace--a graphical explorer of the chemogenomic space covered by the ChEMBL database

Bioinformatics. 2013 Feb 15;29(4):523-4. doi: 10.1093/bioinformatics/bts711. Epub 2012 Dec 20.

Abstract

The ChEMBLSpace graphical explorer enables the identification of compounds from the ChEMBL database, which exhibit a desirable polypharmacology profile. This profile can be predefined or created iteratively, and the tool can be extended to other data sources.

MeSH terms

  • Computer Graphics
  • Databases, Chemical*
  • Humans
  • Ligands
  • Polypharmacy*
  • Proteins / drug effects
  • Software*

Substances

  • Ligands
  • Proteins