Andrzej J. Bojarski

24 papers Journal 24

Year	Rank	Type	Title / Venue / Authors
2021	J	`jnl`	2D SIFt: a matrix of ligand-receptor interactions. J. Cheminformatics Stefan Mordalski, Agnieszka Wojtuch, Igor T. Podolak, Rafal Kurczab, Andrzej J. Bojarski
2020	J	`jnl`	Emulating Docking Results Using a Deep Neural Network: A New Perspective for Virtual Screening. J. Chem. Inf. Model. Stanislaw Jastrzebski, Maciej Szymczak, Agnieszka Pocha, Stefan Mordalski, Jacek Tabor, Andrzej J. Bojarski, Sabina Podlewska
2019	J	`jnl`	Development of New Methods Needs Proper Evaluation - Benchmarking Sets for Machine Learning Experiments for Class A GPCRs. J. Chem. Inf. Model. Damian Lesniak, Sabina Podlewska, Stanislaw Jastrzebski, Igor Sieradzki, Andrzej J. Bojarski, Jacek Tabor
2018	J	`jnl`	GPCRdb in 2018: adding GPCR structure models and ligands. Nucleic Acids Res. Gáspár Pándy-Szekeres, Christian Munk, Tsonko M. Tsonkov, Stefan Mordalski, Kasper Harpsøe, Alexander S. Hauser, Andrzej J. Bojarski, David E. Gloriam
2018	J	`jnl`	Salt Bridge in Ligand-Protein Complexes - Systematic Theoretical and Statistical Investigations. J. Chem. Inf. Model. Rafal Kurczab, Pawel Sliwa, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski
2017	J	`jnl`	Creating the New from the Old: Combinatorial Libraries Generation with Machine-Learning-Based Compound Structure Optimization. J. Chem. Inf. Model. Sabina Podlewska, Wojciech M. Czarnecki, Rafal Kafel, Andrzej J. Bojarski
2017	J	`jnl`	From Homology Models to a Set of Predictive Binding Pockets-a 5-HT J. Chem. Inf. Model. Dawid Warszycki, Manuel Rueda, Stefan Mordalski, Kurt Kristiansen, Grzegorz Satala, Krzysztof Rataj, Zdzislaw Chilmonczyk, Ingebrigt Sylte, Ruben Abagyan, Andrzej J. Bojarski
2016	J	`jnl`	GPCRdb: an information system for G protein-coupled receptors. Nucleic Acids Res. Vignir Ísberg, Stefan Mordalski, Christian Munk, Krzysztof Rataj, Kasper Harpsøe, Alexander S. Hauser, Bas Vroling, Andrzej J. Bojarski, Gert Vriend, David E. Gloriam
2015	J	`jnl`	Ligand-Based Virtual Screening in a Search for Novel Anti-HIV-1 Chemotypes. J. Chem. Inf. Model. Agata Kurczyk, Dawid Warszycki, Robert Musiol, Rafal Kafel, Andrzej J. Bojarski, Jaroslaw Polanski
2015	J	`jnl`	Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning Methods - A Case Study of Serotonin Receptors 5-HT J. Chem. Inf. Model. Sabina Smusz, Stefan Mordalski, Jagna Witek, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski
2015	J	`jnl`	Multiple conformational states in retrospective virtual screening - homology models vs. crystal structures: beta-2 adrenergic receptor case study. J. Cheminformatics Stefan Mordalski, Jagna Witek, Sabina Smusz, Krzysztof Rataj, Andrzej J. Bojarski
2015	J	`jnl`	Robust optimization of SVM hyperparameters in the classification of bioactive compounds. J. Cheminformatics Wojciech M. Czarnecki, Sabina Podlewska, Andrzej J. Bojarski
2014	J	`jnl`	Identification of Novel Serotonin Transporter Compounds by Virtual Screening. J. Chem. Inf. Model. 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
2014	J	`jnl`	Impact of Template Choice on Homology Model Efficiency in Virtual Screening. J. Chem. Inf. Model. Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski
2014	J	`jnl`	The influence of negative training set size on machine learning-based virtual screening. J. Cheminformatics Rafal Kurczab, Sabina Smusz, Andrzej J. Bojarski
2013	J	`jnl`	Application of Structural Interaction Fingerpints (SIFts) into post-docking analysis - insight into activity and selectivity. J. Cheminformatics Jagna Witek, Krzysztof Rataj, Stefan Mordalski, Sabina Smusz, Tomasz Kosciólek, Andrzej J. Bojarski
2013	J	`jnl`	New Strategy for Receptor-Based Pharmacophore Query Construction: A Case Study for 5-HT J. Chem. Inf. Model. Rafal Kurczab, Andrzej J. Bojarski
2013	J	`jnl`	The importance of template choice in homology modeling. A 5-HT J. Cheminformatics Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski
2013	J	`jnl`	The influence of hashed fingerprints density on the machine learning methods performance. J. Cheminformatics Sabina Smusz, Rafal Kurczab, Andrzej J. Bojarski
2013	J	`jnl`	The influence of the inactives subset generation on the performance of machine learning methods. J. Cheminformatics Sabina Smusz, Rafal Kurczab, Andrzej J. Bojarski
2013	J	`jnl`	The influence of training actives/inactives ratio on machine learning performance. J. Cheminformatics Rafal Kurczab, Sabina Smusz, Andrzej J. Bojarski
2011	J	`jnl`	Evaluation of different machine learning methods for ligand-based virtual screening. J. Cheminformatics Rafal Kurczab, Sabina Smusz, Andrzej J. Bojarski
2011	J	`jnl`	Homology modelling of metabotropic glutamate receptor 2. J. Cheminformatics Stefan Mordalski, Tomasz Kosciólek, Aina Westrheim Ravna, Ingebrigt Sylte, Andrzej J. Bojarski
2011	J	`jnl`	Rapid binding site analysis by means of structural interaction fingerprint patterns - an implication to GPCR-targeted CADD. J. Cheminformatics Tomasz Kosciólek, Stefan Mordalski, Andrzej J. Bojarski