Lagunin Alexey
Lagunin Alexey
Институт биомедицинской химии им. В.Н. Ореховича РАМН
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PASS: prediction of activity spectra for biologically active substances
A Lagunin, A Stepanchikova, D Filimonov, V Poroikov
Bioinformatics 16 (8), 747-748, 2000
Prediction of the biological activity spectra of organic compounds using the PASS online web resource
DA Filimonov, AA Lagunin, TA Gloriozova, AV Rudik, DS Druzhilovskii, ...
Chemistry of Heterocyclic Compounds 50 (3), 444-457, 2014
QSAR modelling of rat acute toxicity on the basis of PASS prediction
A Lagunin, A Zakharov, D Filimonov, V Poroikov
Molecular informatics 30 (2‐3), 241-250, 2011
Robustness of biological activity spectra predicting by computer program PASS for noncongeneric sets of chemical compounds
VV Poroikov, DA Filimonov, YV Borodina, AA Lagunin, A Kos
Journal of chemical information and computer sciences 40 (6), 1349-1355, 2000
PASS biological activity spectrum predictions in the enhanced open NCI database browser
VV Poroikov, DA Filimonov, WD Ihlenfeldt, TA Gloriozova, AA Lagunin, ...
Journal of chemical information and computer sciences 43 (1), 228-236, 2003
Computer-aided discovery of anti-inflammatory thiazolidinones with dual cyclooxygenase/lipoxygenase inhibition
AA Geronikaki, AA Lagunin, DI Hadjipavlou-Litina, PT Eleftheriou, ...
Journal of medicinal chemistry 51 (6), 1601-1609, 2008
PASS-assisted exploration of new therapeutic potential of natural products
RK Goel, D Singh, A Lagunin, V Poroikov
Medicinal Chemistry Research 20 (9), 1509-1514, 2011
Multi-targeted natural products evaluation based on biological activity prediction with PASS
A Lagunin, D Filimonov, V Poroikov
Current Pharmaceutical Design 16 (15), 1703-1717, 2010
Prediction of biological activity spectra for substances: Evaluation on the diverse sets of drug-like structures
AV Stepanchikova, AA Lagunin, DA Filimonov, VV Poroikov
Current medicinal chemistry 10 (3), 225-233, 2003
Design, synthesis, computational and biological evaluation of new anxiolytics
A Geronikaki, E Babaev, J Dearden, W Dehaen, D Filimonov, I Galaeva, ...
Bioorganic & medicinal chemistry 12 (24), 6559-6568, 2004
Chemo-and bioinformatics resources for in silico drug discovery from medicinal plants beyond their traditional use: a critical review
AA Lagunin, RK Goel, DY Gawande, P Pahwa, TA Gloriozova, ...
Natural product reports 31 (11), 1585-1611, 2014
QNA-based ‘Star Track’QSAR approach
DA Filimonov, AV Zakharov, AA Lagunin, VV Poroikov
SAR and QSAR in Environmental Research 20 (7-8), 679-709, 2009
Collaborative development of predictive toxicology applications
B Hardy, N Douglas, C Helma, M Rautenberg, N Jeliazkova, V Jeliazkov, ...
Journal of cheminformatics 2 (1), 1-29, 2010
PASS: identification of probable targets and mechanisms of toxicity
V Poroikov, D Filimonov, A Lagunin, T Gloriozova, A Zakharov
SAR and QSAR in Environmental Research 18 (1-2), 101-110, 2007
CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds
AA Lagunin, VI Dubovskaja, AV Rudik, PV Pogodin, DS Druzhilovskiy, ...
PloS one 13 (1), e0191838, 2018
Design of new cognition enhancers: from computer prediction to synthesis and biological evaluation
AA Geronikaki, JC Dearden, D Filimonov, I Galaeva, TL Garibova, ...
Journal of medicinal chemistry 47 (11), 2870-2876, 2004
Computer-aided prediction of biological activity spectra for chemical compounds: opportunities and limitations
DA Filimonov, DS Druzhilovskiy, AA Lagunin, TA Gloriozova, AV Rudik, ...
Biomedical Chemistry: Research and Methods 1 (1), e00004-e00004, 2018
Предсказание спектров биологической активности органических соединений с помощью веб-ресурса PASS Online
ДА Филимонов, АА Лагунин, ТА Глориозова, АВ Рудик, ...
Химия гетероциклических соединений 3, 483-99, 2014
Компьютерное предсказание биологической активности химических веществ: виртуальная хемогеномика
ВВ Поройков, ДА Филимонов, ТА Глориозова, АА Лагунин, ...
Информационный вестник ВОГИС 13 (1), 137-143, 2009
Quantitative prediction of antitarget interaction profiles for chemical compounds
AV Zakharov, AA Lagunin, DA Filimonov, VV Poroikov
Chemical Research in Toxicology 25 (11), 2378-2385, 2012
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