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Agnieszka Wojtuch

Agnieszka Pocha

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affiliation: Jagiellonian University, Krakow, Poland

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2020 – today

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2023
[j6]
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  - journals/jcheminf/WojtuchDPM23
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Agnieszka Wojtuch, Tomasz Danel, Sabina Podlewska, Lukasz Maziarka:
Extended study on atomic featurization in graph neural networks for molecular property prediction. J. Cheminformatics 15(1): 81 (2023)
2021
[j5]
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  - journals/jcheminf/MordalskiWPKB21
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Stefan Mordalski, Agnieszka Wojtuch, Igor T. Podolak, Rafal Kurczab, Andrzej J. Bojarski:
2D SIFt: a matrix of ligand-receptor interactions. J. Cheminformatics 13(1): 66 (2021)
[j4]
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Agnieszka Wojtuch, Rafal Jankowski, Sabina Podlewska:
How can SHAP values help to shape metabolic stability of chemical compounds? J. Cheminformatics 13(1): 74 (2021)
[c2]
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  - conf/ijcnn/PochaDPTM21
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Agnieszka Pocha, Tomasz Danel, Sabina Podlewska, Jacek Tabor, Lukasz Maziarka:
Comparison of Atom Representations in Graph Neural Networks for Molecular Property Prediction. IJCNN 2021: 1-8
2020
[j3]
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  - journals/cbm/MisztalPDWKH20
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Krzysztof Misztal, Agnieszka Pocha, Martyna Durak-Kozica, Michal Wator, Aleksandra Kubica-Misztal, Marcin Hartel:
The importance of standardisation - COVID-19 CT & Radiograph Image Data Stock for deep learning purpose. Comput. Biol. Medicine 127: 104092 (2020)
[j2]
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Lukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Tomasz Danel, Michal Warchol:
Mol-CycleGAN: a generative model for molecular optimization. J. Cheminformatics 12(1): 2 (2020)
[j1]
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  - journals/jcisd/JastrzebskiSPMT20
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Stanislaw Jastrzebski, Maciej Szymczak, Agnieszka Pocha, Stefan Mordalski, Jacek Tabor, Andrzej J. Bojarski, Sabina Podlewska:
Emulating Docking Results Using a Deep Neural Network: A New Perspective for Virtual Screening. J. Chem. Inf. Model. 60(9): 4246-4262 (2020)
[i2]
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  - journals/corr/abs-2012-04444
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Agnieszka Pocha, Tomasz Danel, Lukasz Maziarka:
Comparison of Atom Representations in Graph Neural Networks for Molecular Property Prediction. CoRR abs/2012.04444 (2020)

2010 – 2019

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2019
[c1]
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Lukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Michal Warchol:
Mol-CycleGAN - A Generative Model for Molecular Optimization. ICANN (Workshop) 2019: 810-816
[i1]
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  - journals/corr/abs-1902-02119
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Lukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Michal Warchol:
Mol-CycleGAN - a generative model for molecular optimization. CoRR abs/1902.02119 (2019)

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