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Showing results 1 to 7 of 7

Publication Date2024-04 Artificial Intelligence for Retrosynthetic Planning Needs Both Data and Expert Knowledge
Strieth-Kalthoff, Felix; Szymkuć, Sara; Molga, Karol, et al
Journal of the American Chemical Society, v.146, no.16, pp.11005 - 11017
Publication Date2024-01 Computational prediction of complex cationic rearrangement outcomes
Klucznik, Tomasz; Syntrivanis, Leonidas-Dimitrios; Baś, Sebastian, et al
Nature, v.625, pp.508 - 515
Publication Date2024-05 Computational synthesis design for controlled degradation and revalorization
Anna Żądło-Dobrowolska; Molga, Karol; Kolodiazhna, Olga O., et al
Nature Synthesis, v.3, no.5, pp.643 - 654
Publication Date2022-04 Computer-designed repurposing of chemical wastes into drugs
Wołos, Agnieszka; Koszelewski, Dominik; Roszak, Rafał, et al
Nature, v.604, no.7907, pp.668 - 676
Publication Date2024-03 Emergence of metabolic-like cycles in blockchain-orchestrated reaction networks
Roszak, Rafał; Wołos, Agnieszka; Benke, Marcin, et al
CHEM, v.10, no.3, pp.952 - 970
Publication Date2024-11 Estimation of multicomponent reactions' yields from networks of mechanistic steps
Szymkuć, Sara; Wołos, Agnieszka; Roszak, Rafał, et al
Nature Communications, v.15, no.1, pp.10286
Publication Date2023-01 Network search algorithms and scoring functions for advanced-level computerized synthesis planning
Bartosz A. Grzybowski; Badowski, Tomasz; Molga, Karol, et al
Wiley Interdisciplinary Reviews: Computational Molecular Science, v.13, no.1

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