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Journal of Molecular Modeling|January 30, 2015
s-Block metallabenzene: aromaticity and hydrogen adsorptionRafał Roszak, Szczepan RoszakJournal of the American Chemical Society|October 22, 2019
Rapid and Accurate Prediction of pKa Values of C-H Acids Using Graph Convolutional Neural NetworksRafał Roszak, Wiktor Beker, Karol Molga, et al.Nature Communications|November 28, 2024
Estimation of multicomponent reactions' yields from networks of mechanistic stepsSara Szymkuć, Agnieszka Wołos, Rafał Roszak, et al.Drug Development and Industrial Pharmacy|July 24, 2015
Rheological and textural properties of microemulsion-based polymer gels with indomethacinAnna Froelich, Tomasz Osmałek, Paweł Kunstman, et al.Journal of the American Chemical Society|February 20, 2025
Hierarchical Reaction Logic Enables Computational Design of Complex Peptide SynthesesKarol Molga, Wiktor Beker, Rafał Roszak, et al.Angewandte Chemie (International Ed. in English)|November 7, 2018
Propagation of Oscillating Chemical Signals through Reaction NetworksRafał Roszak, Michał D Bajczyk, Ewa P Gajewska, et al.Journal of the American Chemical Society|March 8, 2022
Machine Learning May Sometimes Simply Capture Literature Popularity Trends: A Case Study of Heterocyclic Suzuki-Miyaura CouplingWiktor Beker, Rafał Roszak, Agnieszka Wołos, et al.Angewandte Chemie (International Ed. in English)|June 15, 2024
Machine Learning Algorithm Guides Catalyst Choices for Magnesium-Catalyzed Asymmetric ReactionsPaulina Baczewska, Michał Kulczykowski, Bartosz Zambroń, et al.Chemical Science|October 9, 2020
Computer-generated "synthetic contingency" plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivirSara Szymkuć, Ewa P Gajewska, Karol Molga, et al.Journal of the American Chemical Society|April 28, 2025
Computer-Generated, Mechanistic Networks Assist in Assigning the Outcomes of Complex Multicomponent ReactionsMaciej Krzeszewski, Olena Vakuliuk, Mariusz Tasior, et al.Pageof 2