HitPick: a web server for hit identification and target prediction of chemical screenings

Bioinformatics. 2013 Aug 1;29(15):1910-2. doi: 10.1093/bioinformatics/btt303. Epub 2013 May 28.

Abstract

Motivation: High-throughput phenotypic assays reveal information about the molecules that modulate biological processes, such as a disease phenotype and a signaling pathway. In these assays, the identification of hits along with their molecular targets is critical to understand the chemical activities modulating the biological system. Here, we present HitPick, a web server for identification of hits in high-throughput chemical screenings and prediction of their molecular targets. HitPick applies the B-score method for hit identification and a newly developed approach combining 1-nearest-neighbor (1NN) similarity searching and Laplacian-modified naïve Bayesian target models to predict targets of identified hits. The performance of the HitPick web server is presented and discussed.

Availability: The server can be accessed at http://mips.helmholtz-muenchen.de/proj/hitpick.

Contact: monica.campillos@helmholtz-muenchen.de.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms
  • Bayes Theorem
  • High-Throughput Screening Assays / methods*
  • Humans
  • Internet
  • Ligands
  • Proteins / chemistry
  • Software*

Substances

  • Ligands
  • Proteins