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Showing results 7 to 13 of 13

Machine Learning May Sometimes Simply Capture LiteraturePopularity Trends: A Case Study of Heterocyclic Suzuki-MiyauraCoupling br File File

Beker, Wiktor , Roszak, Rafal , Wolos, Agnieszka , Angello, Nicholas H. , Rathore, Vandana , Burke, Martin D. , Grzybowski, Bartosz A.

Article Issue Date2022-03 View10
Minimal-uncertainty prediction of general drug-likeness based on Bayesian neural networks File

Beker, Wiktor , Wolos, Agnieszka , Szymkuc, Sara , Grzybowski, Bartosz A.

Article Issue Date2020-08 View9
On-Nanoparticle Gating Units Render an Ordinary Catalyst Substrate- and Site-Selective File

Kim, Minju , Dygas, Miroslaw , Sobolev, Yaroslav, I , Beker, Wiktor , Zhuang, Qiang , Klucznik, Tomasz , Ahumada, Guillermo , Ahumada, Juan Carlos , Grzybowski, Bartosz A.

Article Issue Date2021-02 View6
Prediction of Major Regio‐, Site‐, and Diastereoisomers in Diels–Alder Reactions by Using Machine‐Learning: The Importance of Physically Meaningful Descriptors File

Beker, Wiktor , Gajewska, Ewa P. , Badowski, Tomasz , Grzybowski, Bartosz A.

Article Issue Date2019-03 View5
Rapid and Accurate Prediction of pK(a) Values of C-H Acids Using Graph Convolutional Neural Networks File

Roszak, Rafal , Beker, Wiktor , Molga, Karol , Grzybowski, Bartosz A.

Article Issue Date2019-10 View5
Scaffold-Directed Face Selectivity Machine-Learned from Vectors of Non-covalent Interactions File

Moskal, Martyna , Beker, Wiktor , Szymkuc, Sara , Grzybowski, Bartosz A.

Article Issue Date2021-07 View20
Synthetic connectivity, emergence, and self-regeneration in the network of prebiotic chemistry File

Wolos, Agnieszka , Roszak, Rafal , Zadlo-Dobrowolska, Anna , Beker, Wiktor , Mikulak-Klucznik, Barbara , Spolnik, Grzegorz , Dygas, Miroslaw , Szymkuc, Sara , Grzybowski, Bartosz A.

Article Issue Date2020-09 View7
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