Publikationen
Artikel & Whitepaper
Literatur Referenzen
Künstliche Intelligenz für die retrosynthetische Planung benötigt sowohl Daten als auch Expertenwissen.
F. Strieth-Kalthoff, S. Szymkuć, K. Molga, A. Aspuru-Guzik, F. Glorius und BA Grzybowski, J. Am. Chem. Soc., 146, 16 (2024)
Computergestützte Generierung von Schlüsselschritten in der Alkaloid-Totalsynthese.
Yingfu Lin, Rui Zhang, Di Wang, Tim Cernak, Wissenschaft, 39, 6631 (2023)
Strategic elements in computer-assisted retrosynthesis: A case study of the pupukeanane natural products.
Melissa A. Hardy, Bozhao Nan, Olaf Wiest, Richmond Sarpong, Tetrahedron, 104 (2022)
Reinforcing the supply chain of umifenovir and other antiviral drugs with retrosynthetic software
Lin, Y., Zhang, Z., Mahjour, B. et al. Nat Commun 12, 7327 (2021).
Computational planning of the synthesis of complex natural products
Mikulak-Klucznik, B., Gołębiowska, P., Bayly, AA et al. Natur 588, 83-88 (2020).
Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir
Szymkuć, S.; Gajewska, EP; Molga, K.; Wołos, A.; Roszak, R.; Becher, W.; Moskal, M.; Dittwald, P.; Grzybowski, BA | Chem. Wissenschaft. (2020), 11, 6736–6744
Algorithmic Discovery of Tactical Combinations for Advanced Organic Syntheses
Gajewska, EP; Szymkuć, S.; Dittwald, P.; Startek, M.; Popik, O.; Mlynarski, J.; Grzybowski, BA | Chem. (2020), 6, 280-293
Navigating around Patented Routes by Preserving Specific Motifs along Computer-Planned Retrosynthetic Pathways
Molga, K., Dittwald, P., Grzybowski, BA | Chem. (2019), 5, 460–473
Versandart chemische Verbindungen zu synthetisieren
Trice, S., Knehans, T., Wojcikowski, M. (2019). (PCT/US2019/044068, EP CN SG WO JP US).
Syntheses of Diverse, Medicinally Relevant Targets Planned by Computer and Executed in the Laboratory
Grzybowski, BA et al., | Chem. (2018), 4, 522-532
