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Showing results 9 to 15 of 15

Efficient Syntheses of Diverse, Medicinally Relevant Targets Planned by Computer and Executed in the Laboratory File File

Klucznik, Tomasz , Mikulak-Klucznik, Barbara , McCormack, Michael P. , Lima, Heather , Szymkuć, Sara , Bhowmick, Manishabrata , Molga, Karol , Zhou, Yubai , Rickershauser, Lindsey , Gajewska, Ewa P. , et al

Article Issue Date2018-03 View32
Navigating around Patented Routes by Preserving Specific Motifs along Computer-Planned Retrosynthetic Pathways File

Molga, Karol , Dittwald, Piotr , Grzybowski, Bartosz A.

Article Issue Date2019-02 View15
Network search algorithms and scoring functions for advanced-level computerized synthesis planning File

Grzybowski, Bartosz A. , Badowski, Tomasz , Molga, Karol , Szymkuc, Sara

Article Issue Date2023-01 View27
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 View34
Selection of cost-effective yet chemically diverse pathways from the networks of computer-generated retrosynthetic plans File

Badowski, Tomasz , Molga, Karol , Grzybowski, Bartosz A.

Article Issue Date2019-05 View11
Synergy Between Expert and Machine-Learning Approaches Allows for Improved Retrosynthetic Planning File

Badowski, Tomasz , Gajewska, Ewa P. , Molga, Karol , Grzybowski, Bartosz A.

Article Issue Date2020-01 View27
The logic of translating chemical knowledge into machine-processable forms: A modern playground for physical-organic chemistry File

Molga, Karol , Gajewska, Ewa P. , Szymkuć, Sara , GrzybowskiBartosz Andrzej

Article Issue Date2019-09 View9
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