| Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information I Sushko, S Novotarskyi, R Körner, AK Pandey, M Rupp, W Teetz, ... Journal of computer-aided molecular design 25, 533-554, 2011 | 650 | 2011 |
| Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable … IV Tetko, I Sushko, AK Pandey, H Zhu, A Tropsha, E Papa, T Oberg, ... Journal of chemical information and modeling 48 (9), 1733-1746, 2008 | 459 | 2008 |
| Applicability domains for classification problems: benchmarking of distance to models for Ames mutagenicity set I Sushko, S Novotarskyi, R Körner, AK Pandey, A Cherkasov, J Li, ... Journal of chemical information and modeling 50 (12), 2094-2111, 2010 | 273 | 2010 |
| ToxAlerts: a web server of structural alerts for toxic chemicals and compounds with potential adverse reactions I Sushko, E Salmina, VA Potemkin, G Poda, IV Tetko Journal of chemical information and modeling 52 (8), 2310-2316, 2012 | 259 | 2012 |
| Applicability domain for in silico models to achieve accuracy of experimental measurements I Sushko, S Novotarskyi, R Körner, AK Pandey, VV Kovalishyn, ... Journal of chemometrics 24 (3‐4), 202-208, 2010 | 118 | 2010 |
| How accurately can we predict the melting points of drug-like compounds? IV Tetko, Y Sushko, S Novotarskyi, L Patiny, I Kondratov, AE Petrenko, ... Journal of chemical information and modeling 54 (12), 3320-3329, 2014 | 94 | 2014 |
| Development of dimethyl sulfoxide solubility models using 163 000 molecules: using a domain applicability metric to select more reliable predictions IV Tetko, S Novotarskyi, I Sushko, V Ivanov, AE Petrenko, R Dieden, ... Journal of chemical information and modeling 53 (8), 1990-2000, 2013 | 73 | 2013 |
| Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process Y Sushko, S Novotarskyi, R Körner, J Vogt, A Abdelaziz, IV Tetko Journal of Cheminformatics 6, 1-18, 2014 | 62 | 2014 |
| A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition S Novotarskyi, I Sushko, R Körner, AK Pandey, IV Tetko Journal of chemical information and modeling 51 (6), 1271-1280, 2011 | 62 | 2011 |
| ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model S Novotarskyi, A Abdelaziz, Y Sushko, R Körner, J Vogt, IV Tetko Chemical research in toxicology 29 (5), 768-775, 2016 | 31 | 2016 |
| The QSPR-THESAURUS: The online platform of the CADASTER project S Brandmaier, W Peijnenburg, MK Durjava, B Kolar, P Gramatica, E Papa, ... Alternatives to Laboratory Animals 42 (1), 13-24, 2014 | 15 | 2014 |
| Applicability domain of QSAR models I Sushko Technische Universität München, 2011 | 13 | 2011 |
| From descriptors to predicted properties: Experimental design by using applicability domain estimation S Brandmaier, S Novotarskyi, I Sushko, IV Tetko Alternatives to Laboratory Animals 41 (1), 33-47, 2013 | 8 | 2013 |
| Using online tool (iPrior) for modeling ToxCast™ assays towards prioritization of animal toxicity testing A Abdelaziz, Y Sushko, S Novotarskyi, R Korner, S Brandmaier, I V Tetko Combinatorial Chemistry & High Throughput Screening 18 (4), 420-438, 2015 | 7 | 2015 |
| Classification of CYP450 1A2 inhibitors using PubChem data S Novotarskyi, I Sushko, R Körner, AK Pandey, I Tetko Journal of Cheminformatics 2, 1-1, 2010 | 3 | 2010 |
| OCHEM-on-line CHEmical database & modeling environment S Novotarskyi, I Sushko, R Körner, AP Kumar, M Rupp, VV Prokopenko, ... Journal of Cheminformatics 2, 1-1, 2010 | 3 | 2010 |
| In silico pKaprediction R Körner, I Sushko, S Novotarskyi, IV Tetko Journal of Cheminformatics 4 (Suppl 1), P55, 2012 | 2 | 2012 |
| Collaborative QSAR analysis of Ames mutagenicity. E Muratov, D Fourches, A Artemenko, V Kuz'Min, G Zhao, A Golbraikh, ... | 2 | 2011 |
| Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms S Novotarskyi, I Sushko, R Koerner, IV Tetko Journal of Cheminformatics 5 (Suppl 1), P23, 2013 | 1 | 2013 |
| QSAR modeling for In vitro assays: linking ToxCast™ database to the integrated modeling framework “OCHEM” A Abdelaziz, I Sushko, W Teetz, R Körner, S Novotarskyi, IV Tetko Journal of Cheminformatics 4 (Suppl 1), P62, 2012 | 1 | 2012 |
