Generation of new inhibitors of selected cytochrome P450 subtypes– In silico study by Tomasz Danel, Agnieszka Wojtuch, Sabina Podlewska

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Extended study on atomic featurization in graph neural networks for molecular property prediction by Agnieszka Wojtuch, Tomasz Danel, Sabina Podlewska, Łukasz Maziarka

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Machine learning accelerates pharmacophore-based virtual screening of MAO inhibitors by Marcin Cieślak, Tomasz Danel, Olga Krzysztyńska-Kuleta, Justyna Kalinowska-Tłuścik

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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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Relative molecule self-attention transformer by Łukasz Maziarka, Dawid Majchrowski, Tomasz Danel, Piotr Gaiński, Jacek Tabor, Igor Podolak, Paweł Morkisz, Stanisław Jastrzębski

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