Substructural Connectivity Fingerprint and Extreme Entropy Machines—A New Method of Compound Representation and Analysis by Krzysztof Rataj, Wojciech Czarnecki, Sabina Podlewska, Agnieszka Pocha, Andrzej J. Bojarski

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Mol-CycleGAN: a generative model for molecular optimization by Łukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Tomasz Danel, Michał Warchoł

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Fingerprint-Based Machine Learning Approach to Identify Potent and Selective 5-HT2BR Ligands by Krzysztof Rataj, Ádám Andor Kelemen, José Brea, María Isabel Loza, Andrzej J. Bojarski, György Miklós Keserű

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Decoding phenotypic screening: A comparative analysis of image representations by Adriana Borowa, Dawid Rymarczyk, Marek Żyła, Maciej Kańdula, Ana Sánchez-Fernández, Krzysztof Rataj, Łukasz Struski, Jacek Tabor, Bartosz Zieliński

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