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Chemical Science
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February 15, 2020
Computational design of syntheses leading to compound libraries or isotopically labelled targets
Karol Molga, Piotr Dittwald, Bartosz A Grzybowski
Chemical Science
|
May 25, 2019
Selection of cost-effective yet chemically diverse pathways from the networks of computer-generated retrosynthetic plans
Tomasz Badowski, Karol Molga, Bartosz A Grzybowski
Accounts of Chemical Research
|
January 11, 2021
Chemist Ex Machina: Advanced Synthesis Planning by Computers
Karol Molga, Sara Szymkuć, Bartosz A Grzybowski
Journal of the American Chemical Society
|
October 22, 2019
Rapid and Accurate Prediction of p<i>K</i><sub>a</sub> Values of C-H Acids Using Graph Convolutional Neural Networks
Rafał Roszak, Wiktor Beker, Karol Molga, et al.
Angewandte Chemie (International Ed. in English)
|
November 22, 2019
Synergy Between Expert and Machine-Learning Approaches Allows for Improved Retrosynthetic Planning
Tomasz Badowski, Ewa P Gajewska, Karol Molga, et al.
Journal of the American Chemical Society
|
February 20, 2025
Hierarchical Reaction Logic Enables Computational Design of Complex Peptide Syntheses
Karol Molga, Wiktor Beker, Rafał Roszak, et al.
Journal of the American Chemical Society
|
April 10, 2024
Artificial Intelligence for Retrosynthetic Planning Needs Both Data and Expert Knowledge
Felix Strieth-Kalthoff, Sara Szymkuć, Karol Molga, et al.
Angewandte Chemie (International Ed. in English)
|
July 29, 2015
A Priori Estimation of Organic Reaction Yields
Fateme S Emami, Amir Vahid, Elizabeth K Wylie, et al.
Angewandte Chemie (International Ed. in English)
|
April 11, 2016
Computer-Assisted Synthetic Planning: The End of the Beginning
Sara Szymkuć, Ewa P Gajewska, Tomasz Klucznik, et al.
Chemical Science
|
October 9, 2020
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.
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of 2
Search research articles
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Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Chemical Science
|
February 15, 2020
Computational design of syntheses leading to compound libraries or isotopically labelled targets
Karol Molga, Piotr Dittwald, Bartosz A Grzybowski
Chemical Science
|
May 25, 2019
Selection of cost-effective yet chemically diverse pathways from the networks of computer-generated retrosynthetic plans
Tomasz Badowski, Karol Molga, Bartosz A Grzybowski
Accounts of Chemical Research
|
January 11, 2021
Chemist Ex Machina: Advanced Synthesis Planning by Computers
Karol Molga, Sara Szymkuć, Bartosz A Grzybowski
Journal of the American Chemical Society
|
October 22, 2019
Rapid and Accurate Prediction of p<i>K</i><sub>a</sub> Values of C-H Acids Using Graph Convolutional Neural Networks
Rafał Roszak, Wiktor Beker, Karol Molga, et al.
Angewandte Chemie (International Ed. in English)
|
November 22, 2019
Synergy Between Expert and Machine-Learning Approaches Allows for Improved Retrosynthetic Planning
Tomasz Badowski, Ewa P Gajewska, Karol Molga, et al.
Journal of the American Chemical Society
|
February 20, 2025
Hierarchical Reaction Logic Enables Computational Design of Complex Peptide Syntheses
Karol Molga, Wiktor Beker, Rafał Roszak, et al.
Journal of the American Chemical Society
|
April 10, 2024
Artificial Intelligence for Retrosynthetic Planning Needs Both Data and Expert Knowledge
Felix Strieth-Kalthoff, Sara Szymkuć, Karol Molga, et al.
Angewandte Chemie (International Ed. in English)
|
July 29, 2015
A Priori Estimation of Organic Reaction Yields
Fateme S Emami, Amir Vahid, Elizabeth K Wylie, et al.
Angewandte Chemie (International Ed. in English)
|
April 11, 2016
Computer-Assisted Synthetic Planning: The End of the Beginning
Sara Szymkuć, Ewa P Gajewska, Tomasz Klucznik, et al.
Chemical Science
|
October 9, 2020
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.
Page
of 2