| 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, 444-457, 2014 | 1213 | 2014 |
| PASS: prediction of activity spectra for biologically active substances A Lagunin, A Stepanchikova, D Filimonov, V Poroikov Bioinformatics 16 (8), 747-748, 2000 | 1116 | 2000 |
| QSAR without borders EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ... Chemical Society Reviews 49 (11), 3525-3564, 2020 | 717 | 2020 |
| 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 | 479 | 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 | 384 | 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 | 313 | 2003 |
| Chemical similarity assessment through multilevel neighborhoods of atoms: definition and comparison with the other descriptors D Filimonov, V Poroikov, Y Borodina, T Gloriozova Journal of chemical information and computer sciences 39 (4), 666-670, 1999 | 290 | 1999 |
| PASS-assisted exploration of new therapeutic potential of natural products RK Goel, D Singh, A Lagunin, V Poroikov Medicinal Chemistry Research 20, 1509-1514, 2011 | 252 | 2011 |
| 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 | 236 | 2008 |
| Discriminating between drugs and nondrugs by prediction of activity spectra for substances (PASS) S Anzali, G Barnickel, B Cezanne, M Krug, D Filimonov, V Poroikov Journal of medicinal chemistry 44 (15), 2432-2437, 2001 | 221 | 2001 |
| 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 | 210 | 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 | 197 | 2003 |
| 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 | 187 | 2018 |
| How to acquire new biological activities in old compounds by computer prediction VV Poroikov, DA Filimonov Journal of computer-aided molecular design 16, 819-824, 2002 | 183 | 2002 |
| A critical overview of computational approaches employed for COVID-19 drug discovery EN Muratov, R Amaro, CH Andrade, N Brown, S Ekins, D Fourches, ... Chemical Society Reviews 50 (16), 9121-9151, 2021 | 179 | 2021 |
| 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 | 173 | 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 | 168 | 2014 |
| Cyclobutane-containing alkaloids: origin, synthesis, and biological activities A Sergeiko, VV Poroikov, LO Hanuš, VM Dembitsky The open medicinal chemistry journal 2, 26, 2008 | 167 | 2008 |
| Novel antitumor agents: marine sponge alkaloids, their synthetic analogs and derivatives VM Dembitsky, TA Gloriozova, VV Poroikov Mini reviews in medicinal chemistry 5 (3), 319-336, 2005 | 167 | 2005 |
| CoMPARA: collaborative modeling project for androgen receptor activity K Mansouri, N Kleinstreuer, AM Abdelaziz, D Alberga, VM Alves, ... Environmental Health Perspectives 128 (2), 027002, 2020 | 159 | 2020 |
Lagunin AlexeyИнститут биомедицинской химии им. В.Н. Ореховича РАМНVerified email at ibmc.msk.ru
