Name
Title | ||
|---|---|---|
DIGEP-Pred: web service for in silico prediction of drug-induced gene expression profiles based on structural formula. |
Abstract | ||
|---|---|---|
Experimentally found gene expression profiles are used to solve different problems in pharmaceutical studies, such as drug repositioning, resistance, toxicity and drug-drug interactions. A special web service, DIGEP-Pred, for prediction of drug-induced changes of gene expression profiles based on structural formulae of chemicals has been developed. Structure-activity relationships for prediction of drug-induced gene expression profiles were determined by Prediction of Activity Spectra for Substances (PASS) software. Comparative Toxicogenomics Database with data on the known drug-induced gene expression profiles of chemicals was used to create mRNA- and protein-based training sets. An average prediction accuracy for the training sets (ROC AUC) calculated by leave-one-out cross-validation on the basis of mRNA data (1385 compounds, 952 genes, 500 up- and 475 down-regulations) and protein data (1451 compounds, 139 genes, 93 up- and 55 down-regulations) exceeded 0.85. |
Year | DOI | Venue |
|---|---|---|
2013 | 10.1093/bioinformatics/btt322 | BIOINFORMATICS |
Field | DocType | Volume |
Data mining,Drug repositioning,Toxicogenomics,Gene,Biology,Gene expression,Bioinformatics,Web service,Drug,In silico | Journal | 29 |
Issue | ISSN | Citations |
16 | 1367-4803 | 0 |
PageRank | References | Authors |
0.34 | 6 | 5 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Alexey Lagunin | 1 | 76 | 7.94 |
| Sergey Ivanov | 2 | 5 | 2.50 |
| Anastasia Rudik | 3 | 10 | 3.35 |
| Dmitry Filimonov | 4 | 53 | 7.45 |
| Vladimir Poroikov | 5 | 128 | 17.98 |