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114 results
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Computer-aided prediction of QT-prolongation.
Filz O, Lagunin A, Filimonov D, Poroikov V. Filz O, et al. Among authors: filimonov d. SAR QSAR Environ Res. 2008 Jan-Mar;19(1-2):81-90. doi: 10.1080/10629360701844183. SAR QSAR Environ Res. 2008. PMID: 18311636
[Computational prediction of human immunodeficiency resistance to reverse transcriptase inhibitors].
Tarasova OA, Filimonov DA, Poroikov VV. Tarasova OA, et al. Among authors: filimonov da. Biomed Khim. 2017 Oct;63(5):457-460. doi: 10.18097/PBMC20176305457. Biomed Khim. 2017. PMID: 29080881 Russian.
How to acquire new biological activities in old compounds by computer prediction.
Poroikov VV, Filimonov DA. Poroikov VV, et al. Among authors: filimonov da. J Comput Aided Mol Des. 2002 Nov;16(11):819-24. doi: 10.1023/a:1023836829456. J Comput Aided Mol Des. 2002. PMID: 12825794
Even when PASS cannot predict very new activities, it may recognize some unwanted actions at the early stage of R&D, providing the medicinal chemist with the means to increase the efficiency of projects....
Even when PASS cannot predict very new activities, it may recognize some unwanted actions at the early stage of R&D, providing th …
Prediction of biological activity spectra for substances: evaluation on the diverse sets of drug-like structures.
Stepanchikova AV, Lagunin AA, Filimonov DA, Poroikov VV. Stepanchikova AV, et al. Among authors: filimonov da. Curr Med Chem. 2003 Feb;10(3):225-33. doi: 10.2174/0929867033368510. Curr Med Chem. 2003. PMID: 12570709 Review.
Robustness of biological activity spectra predicting by computer program PASS for noncongeneric sets of chemical compounds.
Poroikov VV, Filimonov DA, Borodina YV, Lagunin AA, Kos A. Poroikov VV, et al. Among authors: filimonov da. J Chem Inf Comput Sci. 2000 Nov-Dec;40(6):1349-55. doi: 10.1021/ci000383k. J Chem Inf Comput Sci. 2000. PMID: 11128093
Prediction of metabolites of epoxidation reaction in MetaTox.
Rudik AV, Dmitriev AV, Bezhentsev VM, Lagunin AA, Filimonov DA, Poroikov VV. Rudik AV, et al. Among authors: filimonov da. SAR QSAR Environ Res. 2017 Oct;28(10):833-842. doi: 10.1080/1062936X.2017.1399165. Epub 2017 Nov 20. SAR QSAR Environ Res. 2017. PMID: 29157013
PASS Targets: Ligand-based multi-target computational system based on a public data and naïve Bayes approach.
Pogodin PV, Lagunin AA, Filimonov DA, Poroikov VV. Pogodin PV, et al. Among authors: filimonov da. SAR QSAR Environ Res. 2015;26(10):783-93. doi: 10.1080/1062936X.2015.1078407. Epub 2015 Aug 25. SAR QSAR Environ Res. 2015. PMID: 26305108
In silico fragment-based drug design using a PASS approach.
Filz OA, Lagunin AA, Filimonov DA, Poroikov VV. Filz OA, et al. Among authors: filimonov da. SAR QSAR Environ Res. 2012;23(3-4):279-96. doi: 10.1080/1062936X.2012.657238. Epub 2012 Feb 28. SAR QSAR Environ Res. 2012. PMID: 22372682
In silico method for identification of promising anticancer drug targets.
Koborova ON, Filimonov DA, Zakharov AV, Lagunin AA, Ivanov SM, Kel A, Poroikov VV. Koborova ON, et al. Among authors: filimonov da. SAR QSAR Environ Res. 2009 Oct;20(7-8):755-66. doi: 10.1080/10629360903438628. SAR QSAR Environ Res. 2009. PMID: 20024808
QNA-based 'Star Track' QSAR approach.
Filimonov DA, Zakharov AV, Lagunin AA, Poroikov VV. Filimonov DA, et al. SAR QSAR Environ Res. 2009 Oct;20(7-8):679-709. doi: 10.1080/10629360903438370. SAR QSAR Environ Res. 2009. PMID: 20024804
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