Ligand-Based Virtual Screening in a Search for Novel Anti-HIV-1 Chemotypes. - Agata Kurczyk; Dawid Warszycki; Robert Musiol; Rafal Kafel; Andrzej J. Bojarski; Jaroslaw Polanski (J. Chem. Inf. Model., 2015)

Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning Methods - A Case Study of Serotonin Receptors 5-HT6 and 5-HT7. - Sabina Smusz; Stefan Mordalski; Jagna Witek; Krzysztof Rataj; Rafal Kafel; Andrzej J. Bojarski (J. Chem. Inf. Model., 2015)

Creating the New from the Old: Combinatorial Libraries Generation with Machine-Learning-Based Compound Structure Optimization. - Sabina Podlewska; Wojciech M. Czarnecki; Rafal Kafel; Andrzej J. Bojarski (J. Chem. Inf. Model., 2017)

Salt Bridge in Ligand-Protein Complexes - Systematic Theoretical and Statistical Investigations. - Rafal Kurczab; Pawel Sliwa; Krzysztof Rataj; Rafal Kafel; Andrzej J. Bojarski (J. Chem. Inf. Model., 2018)

Pharmacoprint: A Combination of a Pharmacophore Fingerprint and Artificial Intelligence as a Tool for Computer-Aided Drug Design. - Dawid Warszycki; Lukasz Struski; Marek Smieja; Rafal Kafel; Rafal Kurczab (J. Chem. Inf. Model., 2021)