| New publicly available chemical query language, CSRML, to support chemotype representations for application to data mining and modeling C Yang, A Tarkhov, J Marusczyk, B Bienfait, J Gasteiger, T Kleinoeder, ... Journal of chemical information and modeling 55 (3), 510-528, 2015 | 179 | 2015 |
| Modeling robust QSAR J Polanski, A Bak, R Gieleciak, T Magdziarz Journal of chemical information and modeling 46 (6), 2310-2318, 2006 | 94 | 2006 |
| Analogues of styrylquinoline and styrylquinazoline HIV-1 integrase inhibitors: design and synthetic problems J Polanski, H Niedbala, R Musiol, D Tabak, B Podeszwa, R Gieleciak, ... Acta Poloniae Pharm. Drug Res 61, 3-4, 2004 | 39 | 2004 |
| GRID formalism for the comparative molecular surface analysis: Application to the CoMFA benchmark steroids, azo dyes, and HEPT derivatives J Polanski, R Gieleciak, T Magdziarz, A Bak Journal of chemical information and computer sciences 44 (4), 1423-1435, 2004 | 36 | 2004 |
| AQUA-DUCT: a ligands tracking tool T Magdziarz, K Mitusińska, S Gołdowska, A Płuciennik, M Stolarczyk, ... Bioinformatics 33 (13), 2045-2046, 2017 | 31 | 2017 |
| Quinoline scaffold as a privileged substructure in antimicrobial drugs R Musiol, T Magdziarz, A Kurczyk Science against microbial pathogens: communicating current research and …, 2011 | 31 | 2011 |
| AQUA-DUCT 1.0: structural and functional analysis of macromolecules from an intramolecular voids perspective T Magdziarz, K Mitusińska, M Bzowka, A Raczyńska, A Stańczak, ... Bioinformatics 36 (8), 2599-2601, 2020 | 28 | 2020 |
| Self-organizing neural networks for modeling robust 3D and 4D QSAR: Application to dihydrofolate reductase inhibitors J Polanski, A Bak, R Gieleciak, T Magdziarz Molecules 9 (12), 1148-1159, 2004 | 24 | 2004 |
| Integrative modeling strategies for predicting drug toxicities at the eTOX project F Sanz, P Carrió, O López, L Capoferri, DP Kooi, NPE Vermeulen, ... Molecular Informatics 34 (6‐7), 477-484, 2015 | 23 | 2015 |
| Exploring Solanum tuberosum Epoxide Hydrolase Internal Architecture by Water Molecules Tracking K Mitusińska, T Magdziarz, M Bzówka, A Stańczak, A Gora Biomolecules 8 (4), 143, 2018 | 19 | 2018 |
| Modeling Robust QSAR. 1. Coding Molecules in 3D-QSAR from a Point to Surface Sectors and Molecular Volumes R Gieleciak, T Magdziarz, A Bak, J Polanski Journal of chemical information and modeling 45 (5), 1447-1455, 2005 | 17 | 2005 |
| COSMOS next generation–A public knowledge base leveraging chemical and biological data to support the regulatory assessment of chemicals C Yang, MTD Cronin, KB Arvidson, B Bienfait, SJ Enoch, B Heldreth, ... Computational Toxicology 19, 100175, 2021 | 16 | 2021 |
| Do similar structures have similar no observed adverse effect level (NOAEL) values? Exploring chemoinformatics approaches for estimating NOAEL bounds and uncertainties C Yang, JF Rathman, T Magdziarz, A Mostrag, S Kulkarni, ... Chemical Research in Toxicology 34 (2), 616-633, 2020 | 16 | 2020 |
| Molecular descriptor data explain market prices of a large commercial chemical compound library J Polanski, U Kucia, R Duszkiewicz, A Kurczyk, T Magdziarz, J Gasteiger Scientific Reports 6 (1), 28521, 2016 | 15 | 2016 |
| Synthesis, antimicrobial activity and docking studies of new N-ethyl-3-indolyl heterocycles WA El-Sayed, HAS Abbas, RE Abdel Mageid, T Magdziarz Medicinal Chemistry Research 25, 339-355, 2016 | 14 | 2016 |
| Receptor independent and receptor dependent CoMSA modeling with IVE-PLS: application to CBG benchmark steroids and reductase activators T Magdziarz, P Mazur, J Polanski Journal of molecular modeling 15, 41-51, 2009 | 14 | 2009 |
| Pharmacophore-based database mining for probing fragmental drug-likeness of diketo acid analogues A Bak, T Magdziarz, J Polanski SAR and QSAR in Environmental Research 23 (1-2), 185-204, 2012 | 13 | 2012 |
| 3D QSAR study of hypolipidemic asarones by comparative molecular surface analysis T Magdziarz, B Łozowicka, R Gieleciak, A Bąk, J Polański, Z Chilmonczyk Bioorganic & medicinal chemistry 14 (5), 1630-1643, 2006 | 13 | 2006 |
| BALCONY: an R package for MSA and functional compartments of protein variability analysis A Płuciennik, M Stolarczyk, M Bzówka, A Raczyńska, T Magdziarz, A Góra BMC bioinformatics 19, 1-8, 2018 | 12 | 2018 |
| Structure-based modeling of dye-fiber affinity with SOM-4D-QSAR paradigm: Application to set of anthraquinone derivatives A Bak, M Wyszomirski, T Magdziarz, A Smolinski, J Polanski Combinatorial Chemistry & High Throughput Screening 17 (6), 485-502, 2014 | 12 | 2014 |
