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Showing results 1 to 9 of 9

Issue DateTitleAuthor(s)TypeView
2020-12Computational planning of the synthesis of complex natural productsMikulak-Klucznik, Barbara; Golebiowska, Patrycja; Bayly, Alison A.; Popik, Oskar; Klucznik, Tomasz; Szymkuc, Sara; Gajewska, Ewa P.; Dittwald, Piotr; Staszewska-Krajewska, Olga; Beker, Wiktor; Badowski, Tomasz; Scheidt, Karl A.; Molga, Karol; Mlynarski, Jacek; Mrksich, Milan; Grzybowski, Bartosz A.ARTICLE248
2020-07Computer-generated "synthetic contingency" plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivirSzymkuc, Sara; Gajewska, Ewa P.; Molga, Karol; Wolos, Agnieszka; Roszak, Rafal; Beker, Wiktor; Moskal, Martyna; Dittwald, Piotr; Grzybowski, Bartosz A.ARTICLE240
2018-08Control and Switching of Charge-Selective Catalysis on Nanoparticles by CounterionsZhuang, Qiang; Yang, Zhijie; Sobolev, Yaroslav I.; Beker, Wiktor; Kong, Jie; Grzybowski, Bartosz A.ARTICLE397
2020-08Minimal-uncertainty prediction of general drug-likeness based on Bayesian neural networksBeker, Wiktor; Wolos, Agnieszka; Szymkuc, Sara; Grzybowski, Bartosz A.ARTICLE214
2021-02On-Nanoparticle Gating Units Render an Ordinary Catalyst Substrate- and Site-SelectiveKim, Minju; Dygas, Miroslaw; Sobolev, Yaroslav, I; Beker, Wiktor; Zhuang, Qiang; Klucznik, Tomasz; Ahumada, Guillermo; Ahumada, Juan Carlos; Grzybowski, Bartosz A.ARTICLE72
2019-03Prediction of Major Regio‐, Site‐, and Diastereoisomers in Diels–Alder Reactions by Using Machine‐Learning: The Importance of Physically Meaningful DescriptorsBeker, Wiktor; Gajewska, Ewa P.; Badowski, Tomasz; Grzybowski, Bartosz A.ARTICLE533
2019-10Rapid and Accurate Prediction of pK(a) Values of C-H Acids Using Graph Convolutional Neural NetworksRoszak, Rafal; Beker, Wiktor; Molga, Karol; Grzybowski, Bartosz A.ARTICLE288
2021-07Scaffold-Directed Face Selectivity Machine-Learned from Vectors of Non-covalent InteractionsMoskal, Martyna; Beker, Wiktor; Szymkuc, Sara; Grzybowski, Bartosz A.ARTICLE75
2020-09Synthetic connectivity, emergence, and self-regeneration in the network of prebiotic chemistryWolos, Agnieszka; Roszak, Rafal; Zadlo-Dobrowolska, Anna; Beker, Wiktor; Mikulak-Klucznik, Barbara; Spolnik, Grzegorz; Dygas, Miroslaw; Szymkuc, Sara; Grzybowski, Bartosz A.ARTICLE143
Showing results 1 to 9 of 9