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Sara Szymkuć

3 results in Authors: Sara Szymkuć

Theoretical and Computational Chemistry

Suggestions for second-pass anti-COVID-19 drugs based on the Artificial Intelligence measures of molecular similarity, shape and pharmacophore distribution.

Martyna Moskal, Wiktor Beker, Rafał Roszak, Ewa P. Gajewska, Agnieszka Wołos, Karol Molga, Sara Szymkuć, Grzegorz Grynkiewicz, Bartosz Grzybowski

Version 2 posted 17 April 2020

2,573

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8

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Organic Chemistry

Computer-Assisted Planning of Hydroxychloroquine’s Syntheses Commencing from Inexpensive Substrates and Bypassing Patented Routes.

Sara Szymkuć, Ewa P. Gajewska, Karol Molga, Agnieszka Wołos, Rafał Roszak, Wiktor Beker, Martyna Moskal, Piotr Dittwald, Bartosz Grzybowski

Version 1 posted 25 March 2020

2,553

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1

Citations

Theoretical and Computational Chemistry

Systematic, computational discovery of multicomponent reactions and one-pot sequences.

Rafał Roszak, Louis Gadina, Agnieszka Wołos, Ahmad Makkawi, Barbara Mikulak-Klucznik, Yasemin Bilgi, Karol Molga, Patrycja Gołębiowska, Oskar Popik, Tomasz Klucznik, Sara Szymkuć, Martyna Moskal, Sebastian Baś, Jacek Mlynarski, Bartosz A. Grzybowski

Version 1 posted 23 August 2024

506

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