-
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 Date2019-10
Rapid and Accurate Prediction of p Ka Values of C-H Acids Using Graph Convolutional Neural Networks
Rafał Roszak; Wiktor Beker; Karol Molga, et al
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.141, no.43, pp.17142 - 17149
-
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