Sabina Podlewska

Jednostki:

Publikacje:

17.
Ewelina Jamrozik, Sabina Podlewska, Marek Śmieja
ADMET-PrInt: Evaluation of ADMET Properties: Prediction and Interpretation, Journal of Chemical Information and Modeling vol. 64 (2024), 1425–1432
16.
Jarosław Duda, Sabina Podlewska
Prediction of probability distributions of molecular properties: towards more efficient virtual screening and better understanding of compound representations, Molecular Diversity vol. 28 (2024), 437–448
15.
Tobiasz Ciepliński, Tomasz Danel, Sabina Podlewska, Stanisław Jastrzębski
Generative Models Should at Least Be Able to Design Molecules That Dock Well: A New Benchmark, Journal of Chemical Information and Modeling vol. 63 (2023), 3238-3247
14.
Agnieszka Wojtuch, Tomasz Danel, Sabina Podlewska, Łukasz Maziarka
Extended study on atomic featurization in graph neural networks for molecular property prediction, Journal of Cheminformatics (2023),
13.
Tomasz Danel, Jan Łęski, Sabina Podlewska, Igor Podolak
Docking-based generative approaches in the search for new drug candidates, Drug Discovery Today vol. 28/2 (2023), 103439
12.
Tomasz Danel, Agnieszka Wojtuch, Sabina Podlewska
Generation of new inhibitors of selected cytochrome P450 subtypes – in silico study, Computational and Structural Biotechnology Journal (2022),
11.
Rafał Jankowski, Sabina Podlewska, Agnieszka Wojtuch
How can SHAP values shape the metabolic stability?, Journal of Cheminformatics vol. 13 (2021), Article number: 74
10.
Tomasz Danel, Łukasz Maziarka, Sabina Podlewska, Jacek Tabor, Agnieszka Wojtuch
Comparison of Atom Representations in Graph Neural Networks for Molecular Property Prediction, IEEE International Joint Conference on Neural Networks [IJCNN], (2021), 1-8
9.
Andrzej Bojarski, Stanisław Jastrzębski, Stefan Mordalski, Sabina Podlewska, Maciej Szymczak, Jacek Tabor, Agnieszka Wojtuch
Emulating docking results using a deep neural network: a new perspective for virtual screening, Journal of Chemical Information and Modeling (2020), 4246-4262
8.
Andrzej Bojarski, Stanisław Jastrzębski, Stefan Mordalski, Sabina Podlewska, Maciej Szymczak, Jacek Tabor, Agnieszka Wojtuch
Emulating Docking Results Using a Deep Neural Network: A New Perspective for Virtual Screening, Journal of Chemical Information and Modeling vol. 60 (2020), 4246-4262
7.
Damian Leśniak, Sabina Podlewska, Igor Sieradzki
How Sure Can We Be about ML Methods-Based Evaluation of Compound Activity: Incorporation of Information about Prediction Uncertainty Using Deep Learning Techniques, Molecules (2020),
6.
Andrzej Bojarski, Stanisław Jastrzębski, Damian Leśniak, Sabina Podlewska, Igor Sieradzki, Jacek Tabor
Development of New Methods Needs Proper Evaluation -- Benchmarking Sets for Machine Learning Experiments for Class A GPCRs, Journal of Chemical Information and Modeling vol. 59 (2019), 4974-4992
5.
Andrzej Bojarski, Stanisław Jastrzębski, Damian Leśniak, Sabina Podlewska, Igor Sieradzki, Jacek Tabor
Three-dimensional descriptors for aminergic GPCRs: dependence on docking conformation and crystal structure, Molecular Diversity vol. vol.23 no.3 (2018), 603-613
4.
Andrzej Bojarski, Wojciech Czarnecki, Stanisław Jastrzębski, Damian Leśniak, Sabina Podlewska
Quo vadis G Protein-Coupled Receptor ligands? A tool for analysis of the emergence of new groups of compounds over time, Bioorganic and Medicinal Chemistry Letters vol. 27 (2017), 626-631
3.
Wojciech Czarnecki, Stanisław Jastrzębski, Sabina Podlewska, Igor Sieradzki
Active Learning of Compounds Activity - Towards Scientifically Sound Simulation of Drug Candidates Identification, Proceedings of 2nd Workshop On Machine Learning in Life Sciences (2015), 40-51
2.
Andrzej Bojarski, Wojciech Czarnecki, Sabina Podlewska
Extremely Randomized Machine Learning Methods for Compound Activity Prediction, Molecules vol. 20 (11) (2015), 20107-20117
1.
Andrzej Bojarski, Wojciech Czarnecki, Sabina Podlewska
Robust optimization of SVM hyperparameters in the classification of bioactive compounds, Journal of Cheminformatics vol. 7 (38) (2015), 15

Granty (realizowane po maju 2009 roku)

TytułRolaRozpoczęcieZakończenie
Paradygmat minimalizacji pamięci w klastrowaniuWykonawca2015-01-212017-08-26