-
Publication Date2020-12
Computational planning of the synthesis of complex natural products
Barbara Mikulak-Klucznik; Patrycja Gołębiowska; Alison A. Bayly, et al
-
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
-
Publication Date2018-08
Control and Switching of Charge-Selective Catalysis on Nanoparticles by Counterions
Qiang Zhuang; Zhijie Yang; Yaroslav I. Sobolev, et al
-
Publication Date2020-08
Minimal-uncertainty prediction of general drug-likeness based on Bayesian neural networks
Wiktor Beker; Agnieszka Wołos; Sara Szymkuć, et al
-
Publication Date2021-02-03
On-Nanoparticle Gating Units Render an Ordinary Catalyst Substrate- and Site-Selective
Minju Kim; Miroslaw Dygas; Yaroslav I. Sobolev, et al
-
Publication Date2019-03
Prediction of major regio-, site-, and diastereoisomers in Diels-Alder reactions using machine-learning: The importance of physically meaningful descriptors
Wiktor Beker; Ewa Gajewska; Tomasz Badowski, et al
-
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
-
Publication Date2020-09
Synthetic connectivity, emergence, and self-regeneration in the network of prebiotic chemistry
Agnieszka Wołos; Rafał Roszak; Anna Żądło-Dobrowolska, et al