Chemogenomic approaches to infer drug-target interaction networks

Methods Mol Biol. 2013:939:97-113. doi: 10.1007/978-1-62703-107-3_9.

Abstract

The identification of drug-target interactions from heterogeneous biological data is critical in the drug development. In this chapter, we review recently developed in silico chemogenomic approaches to infer unknown drug-target interactions from chemical information of drugs and genomic information of target proteins. We review several kernel-based statistical methods from two different viewpoints: binary classification and dimension reduction. In the results, we demonstrate the usefulness of the methods on the prediction of drug-target interactions from chemical structure data and genomic sequence data. We also discuss the characteristics of each method, and show some perspectives toward future research direction.

Publication types

  • Review

MeSH terms

  • Algorithms
  • Area Under Curve
  • Computational Biology / methods*
  • Databases, Genetic
  • Drug Discovery / methods*
  • Genome, Human
  • Genomics / methods*
  • Humans
  • Models, Biological
  • Protein Conformation
  • Reproducibility of Results