Agnieszka Wojtuch

According to our database, Agnieszka Wojtuch authored at least 9 papers between 2019 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2023

Extended study on atomic featurization in graph neural networks for molecular property prediction.

Agnieszka Wojtuch, Tomasz Danel, Sabina Podlewska, Lukasz Maziarka

J. Cheminformatics, December, 2023

2021

How can SHAP values help to shape metabolic stability of chemical compounds?

Agnieszka Wojtuch, Rafal Jankowski, Sabina Podlewska

J. Cheminformatics, 2021

2D SIFt: a matrix of ligand-receptor interactions.

Stefan Mordalski, Agnieszka Wojtuch, Igor T. Podolak, Rafal Kurczab, Andrzej J. Bojarski

J. Cheminformatics, 2021

Comparison of Atom Representations in Graph Neural Networks for Molecular Property Prediction.

Agnieszka Pocha, Tomasz Danel, Sabina Podlewska, Jacek Tabor, Lukasz Maziarka

Proceedings of the International Joint Conference on Neural Networks, 2021

2020

Emulating Docking Results Using a Deep Neural Network: A New Perspective for Virtual Screening.

Stanislaw Jastrzebski, Maciej Szymczak, Agnieszka Pocha, Stefan Mordalski, Jacek Tabor, Andrzej J. Bojarski, Sabina Podlewska

J. Chem. Inf. Model., 2020

Mol-CycleGAN: a generative model for molecular optimization.

Lukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Tomasz Danel, Michal Warchol

J. Cheminformatics, 2020

Comparison of Atom Representations in Graph Neural Networks for Molecular Property Prediction.

Agnieszka Pocha, Tomasz Danel, Lukasz Maziarka

CoRR, 2020

The importance of standardisation - COVID-19 CT & Radiograph Image Data Stock for deep learning purpose.

Krzysztof Misztal, Agnieszka Pocha, Martyna Durak-Kozica, Michal Wator, Aleksandra Kubica-Misztal, Marcin Hartel

Comput. Biol. Medicine, 2020

2019

Mol-CycleGAN - A Generative Model for Molecular Optimization.

Lukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Michal Warchol

Proceedings of the Artificial Neural Networks and Machine Learning - ICANN 2019 - 28th International Conference on Artificial Neural Networks, Munich, Germany, September 17-19, 2019, Proceedings, 2019