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Publication Date2019-02
Navigating around Patented Routes by Preserving Specific Motifs along Computer-Planned Retrosynthetic Pathways
Karol Molga; Piotr Dittwald; Bartosz A. Grzybowski
CHEM, v.5, no.2, pp.460 - 473
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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
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.141, no.43, pp.17142 - 17149
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Publication Date2019-05
Selection of cost-effective yet chemically diverse pathways from the networks of computer-generated retrosynthetic plans
Tomasz Badowski; Karol Molga; Bartosz A. Grzybowski
CHEMICAL SCIENCE, v.10, no.17, pp.4640 - 4651
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Publication Date2020-01
Synergy Between Expert and Machine-Learning Approaches Allows for Improved Retrosynthetic Planning
Tomasz Badowski; Ewa P. Gajewska; Karol Molga, et al
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.59, no.2, pp.725 - 730