dr hab. Sabina Podlewska

dr hab. Sabina Podlewska

+48 12 6623301
pokój 326
Zakład Chemii Leków

Dokonania naukowe

  • Publikacje

Robust optimization of SVM hyperparameters in the classification of bioactive compounds

Autorzy: Wojciech M Czarnecki, Sabina Podlewska, Andrzej J Bojarski

DOI: 10.1186/s13321-015-0088-0
Date: 2015-08-01

Fingerprint-based consensus virtual screening towards structurally new 5-HT6R ligands

Autorzy: Sabina Smusz, Rafał Kurczab, Grzegorz Satała, Andrzej J. Bojarski

DOI: 10.1016/j.bmcl.2015.03.049
Date: 2015-05-01

Multiple conformational states in retrospective virtual screening – homology models vs. crystal structures: beta-2 adrenergic receptor case study

Autorzy: Stefan Mordalski, Jagna Witek, Sabina Smusz, Krzysztof Rataj, Andrzej J Bojarski

DOI: 10.1186/s13321-015-0062-x
Date: 2015-04-09

Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning Methods—A Case Study of Serotonin Receptors 5-HT6 and 5-HT7

Autorzy: Sabina Smusz, Stefan Mordalski, Jagna Witek, Krzysztof Rataj, Rafał Kafel, Andrzej J. Bojarski

DOI: 10.1021/ci500564b
Date: 2015-04-08

Imidazolidine-4-one derivatives in the search for novel chemosensitizers of Staphylococcus aureus MRSA: Synthesis, biological evaluation and molecular modeling studies

Autorzy: Matys, A., Podlewska, S., Witek, K., Witek, J., Bojarski, A.J., Schabikowski, J., Otrębska-Machaj, E., Latacz, G., Szymańska, E., Kieć-Kononowicz, K., Molnar, J., Amaral, L., Handzlik, J.

DOI: 10.1016/j.ejmech.2015.06.013
Date: 2015-01-01

Exploiting uncertainty measures in compounds activity prediction using support vector machines

Autorzy: Sabina Smusz, Wojciech Marian Czarnecki, Dawid Warszycki, Andrzej J. Bojarski

DOI: 10.1016/j.bmcl.2014.11.005
Date: 2015-01-01

The influence of negative training set size on machine learning-based virtual screening

Autorzy: Rafał Kurczab, Sabina Smusz, Andrzej J Bojarski

DOI: 10.1186/1758-2946-6-32
Date: 2014-06-11

An application of machine learning methods to structural interaction fingerprints—a case study of kinase inhibitors

Autorzy: Jagna Witek, Sabina Smusz, Krzysztof Rataj, Stefan Mordalski, Andrzej J. Bojarski

DOI: 10.1016/j.bmcl.2013.12.017
Date: 2014-01-01

A multidimensional analysis of machine learning methods performance in the classification of bioactive compounds

Autorzy: Sabina Smusz, Rafał Kurczab, Andrzej J. Bojarski

DOI: 10.1016/j.chemolab.2013.08.003
Date: 2013-10-01

Application of Structural Interaction Fingerpints (SIFts) into post-docking analysis - insight into activity and selectivity

Autorzy: Jagna Witek, Krzysztof Rataj, Stefan Mordalski, Sabina Smusz, Tomasz Kosciolek, Andrzej J Bojarski

DOI: 10.1186/1758-2946-5-s1-p28
Date: 2013-01-01

Zobacz także