For publication of results, please cite:
Filimonov D.A., Lagunin A.A., Gloriozova T.A., Rudik A.V., Druzhilovskii D.S., Pogodin P.V., Poroikov V.V. (2014). Prediction of the biological activity spectra of organic compounds using the PASS online web resource. Chemistry of Heterocyclic Compounds, 50 (3), 444-457.
Zakharov A.V., Lagunin A.A., Filimonov D.A., Poroikov V.V. (2012). Quantitative prediction of antitarget interaction profiles for chemical compounds. Chemical Research in Toxicology, 25 (11) 2378-2385.
GUSAR (Acute Rat Toxicity)
Lagunin A., Zakharov A., Filimonov D., Poroikov V. (2011). QSAR modelling of rat acute toxicity on the basis of PASS prediction. Molecular Informatics, 30 (2-3), 241–250.
GUSAR (Environmental Toxicity)
Filimonov D.A., Zakharov A.V., Lagunin A.A., Poroikov V.V. (2009). QNA based “Star Track” QSAR approach. SAR and QSAR in Environmental Research, 20 (7-8), 679-709.
DIGEP-Pred (Drug-Induced Gene Expression Profiles Prediction)
Lagunin A., Ivanov S., Rudik A., Filimonov D., Poroikov V. (2013). DIGEP-Pred: web-service for in silico prediction of drug-induced expression profiles based on structural formula. Bioinformatics, 29 (16), 2062-2063.
SOMP (Site of Metabolism Prediction)
Rudik A., Dmitriev A., Lagunin A., Filimonov D., Poroikov V. (2015). SOMP: web-service for in silico prediction of sites of metabolism for drug-like compounds. Bioinformatics, 31 (12), 2046-2048.