Krzysztof Rataj

Publication Activity (10 Years)

Years Active: 2013-2020
Publications (10 Years): 7

Top Topics

Imbalanced Datasets

Markov Chain Monte Carlo

Generative Model

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

TrustCom/BigDataSE/ISPA (2)

Publications

Lukasz Maziarka, Tomasz Danel, Slawomir Mucha, Krzysztof Rataj, Jacek Tabor, Stanislaw Jastrzebski
Molecule Attention Transformer. CoRR (2020)
Lukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Tomasz Danel, Michal Warchol
Mol-CycleGAN: a generative model for molecular optimization. J. Cheminformatics 12 (1) (2020)
Lukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Michal Warchol
Mol-CycleGAN - A Generative Model for Molecular Optimization. ICANN (Workshop) (2019)
Lukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Michal Warchol
Mol-CycleGAN - a generative model for molecular optimization. CoRR (2019)
Rafal Kurczab, Pawel Sliwa, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski
Salt Bridge in Ligand-Protein Complexes - Systematic Theoretical and Statistical Investigations. J. Chem. Inf. Model. 58 (11) (2018)
Dawid Warszycki, Manuel Rueda, Stefan Mordalski, Kurt Kristiansen, Grzegorz Satala, Krzysztof Rataj, Zdzislaw Chilmonczyk, Ingebrigt Sylte, Ruben Abagyan, Andrzej J. Bojarski
Receptor Case Study. J. Chem. Inf. Model. 57 (2) (2017)
Vignir Ísberg, Stefan Mordalski, Christian Munk, Krzysztof Rataj, Kasper Harpsøe, Alexander S. Hauser, Bas Vroling, Andrzej J. Bojarski, Gert Vriend, David E. Gloriam
GPCRdb: an information system for G protein-coupled receptors. Nucleic Acids Res. 44 (Database-Issue) (2016)
Wojciech Marian Czarnecki, Krzysztof Rataj
Compounds Activity Prediction in Large Imbalanced Datasets with Substructural Relations Fingerprint and EEM. TrustCom/BigDataSE/ISPA (2) (2015)
Sabina Smusz, Stefan Mordalski, Jagna Witek, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski
. J. Chem. Inf. Model. 55 (4) (2015)
Stefan Mordalski, Jagna Witek, Sabina Smusz, Krzysztof Rataj, Andrzej J. Bojarski
Multiple conformational states in retrospective virtual screening - homology models vs. crystal structures: beta-2 adrenergic receptor case study. J. Cheminformatics 7 (2015)
Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski
Impact of Template Choice on Homology Model Efficiency in Virtual Screening. J. Chem. Inf. Model. 54 (6) (2014)
Jagna Witek, Krzysztof Rataj, Stefan Mordalski, Sabina Smusz, Tomasz Kosciólek, Andrzej J. Bojarski
Application of Structural Interaction Fingerpints (SIFts) into post-docking analysis - insight into activity and selectivity. J. Cheminformatics 5 (S-1) (2013)
Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski
R case study. J. Cheminformatics 5 (S-1) (2013)