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Sabina Podlewska
Sabina Podlewska
Other namesSabina Smusz
Verified email at if-pan.krakow.pl
Title
Cited by
Cited by
Year
The influence of negative training set size on machine learning-based virtual screening
R Kurczab, S Smusz, AJ Bojarski
Journal of cheminformatics 6, 1-9, 2014
812014
Robust optimization of SVM hyperparameters in the classification of bioactive compounds
WM Czarnecki, S Podlewska, AJ Bojarski
Journal of cheminformatics 7, 1-15, 2015
742015
Aminergic gpcr–ligand interactions: A chemical and structural map of receptor mutation data
M Vass, S Podlewska, IJP De Esch, AJ Bojarski, R Leurs, AJ Kooistra, ...
Journal of medicinal chemistry 62 (8), 3784-3839, 2018
622018
How can SHAP values help to shape metabolic stability of chemical compounds?
A Wojtuch, R Jankowski, S Podlewska
Journal of cheminformatics 13, 1-20, 2021
602021
The influence of the inactives subset generation on the performance of machine learning methods
S Smusz, R Kurczab, AJ Bojarski
Journal of cheminformatics 5, 1-8, 2013
452013
MetStabOn—online platform for metabolic stability predictions
S Podlewska, R Kafel
International journal of molecular sciences 19 (4), 1040, 2018
412018
A multidimensional analysis of machine learning methods performance in the classification of bioactive compounds
S Smusz, R Kurczab, AJ Bojarski
Chemometrics and Intelligent Laboratory Systems 128, 89-100, 2013
382013
We should at least be able to design molecules that dock well
T Cieplinski, T Danel, S Podlewska, S Jastrzebski
arXiv preprint arXiv:2006.16955, 2020
342020
Emulating docking results using a deep neural network: a new perspective for virtual screening
S Jastrzebski, M Szymczak, A Pocha, S Mordalski, J Tabor, AJ Bojarski, ...
Journal of Chemical Information and Modeling 60 (9), 4246-4262, 2020
322020
Imidazolidine-4-one derivatives in the search for novel chemosensitizers of Staphylococcus aureus MRSA: Synthesis, biological evaluation and molecular modeling studies
A Matys, S Podlewska, K Witek, J Witek, AJ Bojarski, J Schabikowski, ...
European Journal of Medicinal Chemistry 101, 313-325, 2015
282015
Structural and Molecular Insight into Piperazine and Piperidine Derivatives as Histamine H3 and Sigma-1 Receptor Antagonists with Promising Antinociceptive …
K Szczepańska, S Podlewska, M Dichiara, D Gentile, V Patamia, N Rosier, ...
ACS chemical neuroscience 13 (1), 1-15, 2021
272021
An application of machine learning methods to structural interaction fingerprints—a case study of kinase inhibitors
J Witek, S Smusz, K Rataj, S Mordalski, AJ Bojarski
Bioorganic & medicinal chemistry letters 24 (2), 580-585, 2014
272014
Fingerprint-based consensus virtual screening towards structurally new 5-HT6R ligands
S Smusz, R Kurczab, G Satała, AJ Bojarski
Bioorganic & medicinal chemistry letters 25 (9), 1827-1830, 2015
242015
Docking-based generative approaches in the search for new drug candidates
T Danel, J Łęski, S Podlewska, IT Podolak
Drug Discovery Today 28 (2), 103439, 2023
232023
Rational design in search for 5-phenylhydantoin selective 5-HT7R antagonists. Molecular modeling, synthesis and biological evaluation
K Kucwaj-Brysz, D Warszycki, S Podlewska, J Witek, K Witek, ...
European journal of medicinal chemistry 112, 258-269, 2016
222016
Structural modifications of the serotonin 5-HT7 receptor agonist N-(4-cyanophenylmethyl)-4-(2-biphenyl)-1-piperazinehexanamide (LP-211) to improve in vitro microsomal stability …
E Lacivita, S Podlewska, L Speranza, M Niso, G Satała, R Perrone, ...
European Journal of Medicinal Chemistry 120, 363-379, 2016
212016
Molecular modeling of µ opioid receptor ligands with various functional properties: PZM21, SR-17018, morphine, and fentanyl—simulated interaction patterns confronted with …
S Podlewska, R Bugno, L Kudla, AJ Bojarski, R Przewlocki
Molecules 25 (20), 4636, 2020
202020
Generative models should at least be able to design molecules that dock well: A new benchmark
T Cieplinski, T Danel, S Podlewska, S Jastrzȩbski
Journal of Chemical Information and Modeling 63 (11), 3238-3247, 2023
162023
Creating the new from the old: Combinatorial libraries generation with machine-learning-based compound structure optimization
S Podlewska, WM Czarnecki, R Kafel, AJ Bojarski
Journal of chemical information and modeling 57 (2), 133-147, 2017
162017
Structural modifications in the distal, regulatory region of histamine H3 receptor antagonists leading to the identification of a potent anti-obesity agent
K Szczepańska, S Pockes, S Podlewska, C Höring, K Mika, G Latacz, ...
European Journal of Medicinal Chemistry 213, 113041, 2021
142021
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