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Exploring Chemical Reaction Space with Reaction Difference Fingerprints and Parametric t‑SNE by Mikhail Andronov, Maxim V. Fedorov, Sergey Sosnin
Published 2021-11-01
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Transformer-based artificial neural networks for the conversion between chemical notations by Lev Krasnov, Ivan Khokhlov, Maxim V. Fedorov, Sergey Sosnin
Published 2021-07-01
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graphDelta: MPNN Scoring Function for the Affinity Prediction of Protein–Ligand Complexes by Dmitry S. Karlov, Sergey Sosnin, Maxim V. Fedorov, Petr Popov
Published 2020-03-01
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