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Publication Date2017-07
13. Freiburger Symposium 2017: Green Chemistry –from Concept to Industrial Reality(Synthetic Design with the Chematica Program – The Importance of Accurate Rules and of Higherorder Logic)
Bartosz A. Grzybowski; Sara Szymkuc; Karol Molga, et al
CHIMIA, v.71, no.7-8, pp.512 - 512
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Publication Date2020-12
Computational planning of the synthesis of complex natural products
Barbara Mikulak-Klucznik; Patrycja Gołębiowska; Alison A. Bayly, et al
Nature, v.588, pp.83 - 88
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Publication Date2020-07
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
CHEMICAL SCIENCE, v.11, no.26, pp.6736 - 6744
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Publication Date2018-03
Efficient Syntheses of Diverse, Medicinally Relevant Targets Planned by Computer and Executed in the Laboratory
Tomasz Klucznik; Barbara Mikulak-Klucznik; Michael P.McCormack, et al
CHEM, v.4, no.3, pp.522 - 532
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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