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Showing results 1 to 7 of 7

Publication Date2019-03 Automatic mapping of atoms across both simple and complex chemical reactions
Wojciech Jaworski; Sara Szymkuć; Barbara Mikulak-Klucznik, et al
NATURE COMMUNICATIONS, v.10, no.1, pp.1434
Publication Date2020-12 Computational planning of the synthesis of complex natural products
Barbara Mikulak-Klucznik; Patrycja Gołębiowska; Alison A. Bayly, et al
Nature, v.588, pp.83 - 88
Publication Date2020-07 Computer-generated "synthetic contingency" plans at times of logistics and supply problems: Scenarios for hydroxychloroquine and remdesivir
Sara Szymkuć; Ewa P. Gajewska; Karol Molga, et al
CHEMICAL SCIENCE, v.11, no.26, pp.6736 - 6744
Publication Date2018-03 Efficient Syntheses of Diverse, Medicinally Relevant Targets Planned by Computer and Executed in the Laboratory
Tomasz Klucznik; Barbara Mikulak-Klucznik; Michael P.McCormack, et al
CHEM, v.4, no.3, pp.522 - 532
Publication Date2018-05 Linguistic measures of chemical diversity and the “keywords” of molecular collections
Michał Woźniak; Agnieszka Wołos; Urszula Modrzyk, et al
SCIENTIFIC REPORTS, v.8, no.1, pp.7598
Publication Date2020-08 Minimal-uncertainty prediction of general drug-likeness based on Bayesian neural networks
Wiktor Beker; Agnieszka Wołos; Sara Szymkuć, et al
Nature Machine Intelligence, v.2, no.8, pp.457 - 465
Publication Date2020-09 Synthetic connectivity, emergence, and self-regeneration in the network of prebiotic chemistry
Agnieszka Wołos; Rafał Roszak; Anna Żądło-Dobrowolska, et al
Science, v.369, no.6511, pp.1 - 12

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