Systems Biology of Small Molecules

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

HitPick is 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-Neighbour (1NN) similarity searching and Laplacian-modified naïve Bayesian target models to predict targets of identified hits.

The Website of HitPick is freely accessible.

Liu X*, Vogt I*, Haque T, Campillos M. HitPick: a web server for hit identification and target prediction of chemical screenings. Bioinformatics. 2013 Aug; 29(15):1910-2.

Organ System Heterogeneity DB

Organ System Heterogeneity DB provides the phenotypic heterogeneity data at the organ system level. Heterogeneity information can be retrieved for various human diseases, drugs and for human genes with phenotypes from genetically modified mouse models.

The Website of the Organ System Heterogeneity DB is freely accessible.

Mannil D, Vogt I, Prinz J, Campillos M. Organ system heterogeneity DB: a database for the visualization of phenotypes at the organ system level. Nucleic Acids Res. 2015 Jan; 43:D900-6.

DePick - a novel target de-convolution tool to determine phenotypic screens

DePick is a novel target de-convolution tool to determine targets specifically linked to a phenotype measured in a high-throughput screening assay.

The Website of DePick is freely accessible.

Liu X, Baarsma HA, Thiam CH, Montrone C, Brauner B., Fobo G, Heier JS, Duscha S, Königshoff M, Angeli V, Ruepp A, Campillos M. Systematic identification of pharmacological targets from small-molecule phenotypic screens. Cell Chemical Biology. 2016 Sep; pii:S2451-9456(16)30294-X