Andrzej J. Bojarski

Publication Activity (10 Years)

Years Active: 2011-2021
Publications (10 Years): 8

Top Topics

Chemical Structures

Machine Learning

Protein Complexes

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Nucleic Acids Res.

Publications

Stefan Mordalski, Agnieszka Wojtuch, Igor T. Podolak, Rafal Kurczab, Andrzej J. Bojarski
2D SIFt: a matrix of ligand-receptor interactions. J. Cheminformatics 13 (1) (2021)
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) (2020)
Damian Lesniak, Sabina Podlewska, Stanislaw Jastrzebski, Igor Sieradzki, Andrzej J. Bojarski, Jacek Tabor
Development of New Methods Needs Proper Evaluation - Benchmarking Sets for Machine Learning Experiments for Class A GPCRs. J. Chem. Inf. Model. 59 (12) (2019)
Gáspár Pándy-Szekeres, Christian Munk, Tsonko M. Tsonkov, Stefan Mordalski, Kasper Harpsøe, Alexander S. Hauser, Andrzej J. Bojarski, David E. Gloriam
GPCRdb in 2018: adding GPCR structure models and ligands. Nucleic Acids Res. 46 (Database-Issue) (2018)
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)
Sabina Podlewska, Wojciech M. Czarnecki, Rafal Kafel, Andrzej J. Bojarski
Creating the New from the Old: Combinatorial Libraries Generation with Machine-Learning-Based Compound Structure Optimization. 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)
Sabina Smusz, Stefan Mordalski, Jagna Witek, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski
. J. Chem. Inf. Model. 55 (4) (2015)
Wojciech M. Czarnecki, Sabina Podlewska, Andrzej J. Bojarski
Robust optimization of SVM hyperparameters in the classification of bioactive compounds. J. Cheminformatics 7 (2015)
Agata Kurczyk, Dawid Warszycki, Robert Musiol, Rafal Kafel, Andrzej J. Bojarski, Jaroslaw Polanski
Ligand-Based Virtual Screening in a Search for Novel Anti-HIV-1 Chemotypes. J. Chem. Inf. Model. 55 (10) (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)
Mari Gabrielsen, Rafal Kurczab, Agata Siwek, Malgorzata Wolak, Aina Westrheim Ravna, Kurt Kristiansen, Irina Kufareva, Ruben Abagyan, Gabriel Nowak, Zdzislaw Chilmonczyk, Ingebrigt Sylte, Andrzej J. Bojarski
Identification of Novel Serotonin Transporter Compounds by Virtual Screening. J. Chem. Inf. Model. 54 (3) (2014)
Rafal Kurczab, Sabina Smusz, Andrzej J. Bojarski
The influence of negative training set size on machine learning-based virtual screening. J. Cheminformatics 6 (1) (2014)
Sabina Smusz, Rafal Kurczab, Andrzej J. Bojarski
The influence of hashed fingerprints density on the machine learning methods performance. J. Cheminformatics 5 (S-1) (2013)
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)
Rafal Kurczab, Andrzej J. Bojarski
Receptor Ligands. J. Chem. Inf. Model. 53 (12) (2013)
Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski
R case study. J. Cheminformatics 5 (S-1) (2013)
Rafal Kurczab, Sabina Smusz, Andrzej J. Bojarski
The influence of training actives/inactives ratio on machine learning performance. J. Cheminformatics 5 (S-1) (2013)
Sabina Smusz, Rafal Kurczab, Andrzej J. Bojarski
The influence of the inactives subset generation on the performance of machine learning methods. J. Cheminformatics 5 (2013)
Tomasz Kosciólek, Stefan Mordalski, Andrzej J. Bojarski
Rapid binding site analysis by means of structural interaction fingerprint patterns - an implication to GPCR-targeted CADD. J. Cheminformatics 3 (S-1) (2011)
Stefan Mordalski, Tomasz Kosciólek, Aina Westrheim Ravna, Ingebrigt Sylte, Andrzej J. Bojarski
Homology modelling of metabotropic glutamate receptor 2. J. Cheminformatics 3 (S-1) (2011)
Rafal Kurczab, Sabina Smusz, Andrzej J. Bojarski
Evaluation of different machine learning methods for ligand-based virtual screening. J. Cheminformatics 3 (S-1) (2011)