Sabina Podlewska, PhD
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Creating the New from the Old: Combinatorial Libraries Generation with Machine-Learning-Based Compound Structure Optimization.
Sabina Podlewska, Wojciech M Czarnecki, Rafał Kafel, Andrzej J Bojarski
Journal of chemical information and modeling, 10.1021/acs.jcim.6b00426
PMID:28158942
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Quo vadis G protein-coupled receptor ligands? A tool for analysis of the emergence of new groups of compounds over time.
Damian Leśniak, Stanisław Jastrzębski, Sabina Podlewska, Wojciech M Czarnecki, Andrzej J Bojarski
Bioorganic & medicinal chemistry letters, S0960-894X(16)31268-9 10.1016/j.bmcl.2016.12.001
PMID:27993519
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Rational design in search for 5-phenylhydantoin selective 5-HT7R antagonists. Molecular modeling, synthesis and biological evaluation.
Katarzyna Kucwaj-Brysz, Dawid Warszycki, Sabina Podlewska, Jagna Witek, Karolina Witek, Andrea González Izquierdo, Grzegorz Satała, María I Loza, Annamaria Lubelska, Gniewomir Latacz, Andrzej J Bojarski, Marián Castro, Katarzyna Kieć-Kononowicz, Jadwiga Handzlik
European journal of medicinal chemistry, S0223-5234(16)30094-0 10.1016/j.ejmech.2016.02.024
PMID:26900658
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Extremely Randomized Machine Learning Methods for Compound Activity Prediction.
Wojciech M Czarnecki, Sabina Podlewska, Andrzej J Bojarski
Molecules (Basel, Switzerland), 10.3390/molecules201119679
PMID:26569196
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Imidazolidine-4-one derivatives in the search for novel chemosensitizers of Staphylococcus aureus MRSA: Synthesis, biological evaluation and molecular modeling studies.
Anna Matys, Sabina Podlewska, Karolina Witek, Jagna Witek, Andrzej J Bojarski, Jakub Schabikowski, Ewa Otrębska-Machaj, Gniewomir Latacz, Ewa Szymańska, Katarzyna Kieć-Kononowicz, Joseph Molnar, Leonard Amaral, Jadwiga Handzlik
European journal of medicinal chemistry, 10.1016/j.ejmech.2015.06.013 S0223-5234(15)30087-8
PMID:26160112
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Robust optimization of SVM hyperparameters in the classification of bioactive compounds.
Wojciech M Czarnecki, Sabina Podlewska, Andrzej J Bojarski
Journal of cheminformatics, 10.1186/s13321-015-0088-0
PMID:26273325
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Multiple conformational states in retrospective virtual screening - homology models vs. crystal structures: beta-2 adrenergic receptor case study.
Stefan Mordalski, Jagna Witek, Sabina Smusz, Krzysztof Rataj, Andrzej J Bojarski
Journal of cheminformatics, 10.1186/s13321-015-0062-x
PMID:25949744
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Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning Methods--A Case Study of Serotonin Receptors 5-HT(6) and 5-HT(7).
Sabina Smusz, Stefan Mordalski, Jagna Witek, Krzysztof Rataj, Rafał Kafel, Andrzej J Bojarski
Journal of chemical information and modeling, 10.1021/ci500564b
PMID:25806997
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Fingerprint-based consensus virtual screening towards structurally new 5-HT(6)R ligands.
Sabina Smusz, Rafał Kurczab, Grzegorz Satała, Andrzej J Bojarski
Bioorganic & medicinal chemistry letters, 10.1016/j.bmcl.2015.03.049 S0960-894X(15)00255-3
PMID:25866241
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Exploiting uncertainty measures in compounds activity prediction using support vector machines.
Sabina Smusz, Wojciech Marian Czarnecki, Dawid Warszycki, Andrzej J Bojarski
Bioorganic & medicinal chemistry letters,
PMID:25466199
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The influence of negative training set size on machine learning-based virtual screening.
Rafał Kurczab, Sabina Smusz, Andrzej J Bojarski
Journal of cheminformatics, 10.1186/1758-2946-6-32
PMID:24976867
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An application of machine learning methods to structural interaction fingerprints--a case study of kinase inhibitors.
Jagna Witek, Sabina Smusz, Krzysztof Rataj, Stefan Mordalski, Andrzej J Bojarski
Bioorganic & medicinal chemistry letters, 10.1016/j.bmcl.2013.12.017 S0960-894X(13)01389-9
PMID:24374279
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The influence of the inactives subset generation on the performance of machine learning methods.
Sabina Smusz, Rafał Kurczab, Andrzej J Bojarski
Journal of cheminformatics, 10.1186/1758-2946-5-17
PMID:23561266
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