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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
Publication Date2019-03 Prediction of major regio-, site-, and diastereoisomers in Diels-Alder reactions using machine-learning: The importance of physically meaningful descriptors
Wiktor Beker; Ewa Gajewska; Tomasz Badowski, et al
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.58, no.14, pp.4515 - 4519
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
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

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