Tomasz Magdziarz
Tomasz Magdziarz
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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
Modeling robust QSAR
J Polanski, A Bak, R Gieleciak, T Magdziarz
Journal of chemical information and modeling 46 (6), 2310-2318, 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
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
AQUA-DUCT: a ligands tracking tool
T Magdziarz, K Mitusińska, S Gołdowska, A Płuciennik, M Stolarczyk, ...
Bioinformatics 33 (13), 2045-2046, 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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