GUSAR software was developed to create QSAR/QSPR models on the basis of the appropriate training sets represented as SDfile contained data about chemical structures and endpoint in quantitative terms.
Lagunin A., Zakharov A., Filimonov D., Poroikov V. QSAR Modelling of Rat Acute Toxicity on the Basis of PASS Prediction. Molecular Informatics, 2011, 30(2-3), 241–250. (Html, PDF)
Filimonov D.A., Zakharov A.V., Lagunin A.A., Poroikov V.V. QNA based ‘Star Track’ QSAR approach. SAR and QSAR Environ. Res., 2009, 20(7-8), 679-709. (Abstract)
Lagunin A., Zakharov A., Filimonov D., Poroikov V. In silico assessment of acute toxicity in rodents. Toxicololgy Letters, 2009, 189 (S1), S254.
Filimonov D.A., Poroikov V.V. Probabilistic approach in activity prediction. In: Chemoinformatics Approaches to Virtual Screening. Eds. Alexandre Varnek and Alexander Tropsha. Cambridge (UK): RSC Publishing, 2008, 182-216.
Lagunin A.A., Zakharov A.V., Filimonov D.A., Poroikov V.V. A new approach to QSAR modelling of acute toxicity. SAR QSAR Environ. Res. 2007, 18(3–4), 285-298. (Abstract)
Filimonov D.A., Poroikov V.V. Prediction of biological activity spectrum for organic compounds. Rus. Chem. J., 2006, 50, 66-75.(PDF)
Filimonov D.A., Lagunin A.A., Poroikov V.V. Prediction of activity spectra for substances using new local integrative descriptors. QSAR and Molecular Modelling in Rational Design of Bioactive Molecules. Eds. Esin Aki Sener, Ismail Yalcin, Ankara (Turkey), CADD & D Society, 2005, 98-99.
Poroikov V. V., Filimonov D. A., Borodina Yu. V., Lagunin A. A., Kos A. Robustness of Biological Activity Spectra Predicting by Computer Program PASS for Noncongeneric Sets of Chemical Compounds. J. Chem. Inf. Comput. Sci., 2000, 40, 1349-1355.(Abstract)
Filimonov D., Poroikov V., Borodina Yu., Gloriozova T. Chemical Similarity Assessment through Multilevel Neighborhoods of Atoms: Definition and Comparison with the Other Descriptors. J. Chem. Inf. Comput. Sci., 1999, 39, 666-670.(Abstract)