Pubblicazioni
Articoli e white paper
Riferimenti bibliografici
L'intelligenza artificiale per la pianificazione retrosintetica necessita sia di dati che di conoscenze specialistiche.
F. Strieth-Kalthoff, S. Szymkuć, K. Molga, A. Aspuru-Guzik, F. Glorius e BA Grzybowski, J. Am. Chimica. Soc., 146, 16 (2024)
Generazione di passaggi chiave assistita da computer nella sintesi totale di alcaloidi.
Yingfu Lin, Rui Zhang, Di Wang, Tim Cernak, Scienza, 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, Tetraedro, 104 (2022)
Reinforcing the supply chain of umifenovir and other antiviral drugs with retrosynthetic software
Lin Y., Zhang Z., Mahjour B. et al. Nat Comun 12, 7327 (2021).
Computational planning of the synthesis of complex natural products
Mikulak-Klucznik, B., Gołębiowska, P., Bayly, AA et al. Natura 588, 83-88 (2020).
Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir
Szymkuc, S.; Gajewska, EP; Molga, K.; Wolos, A.; Roszak, R.; Beker, W.; Moskal, M.; Dittwald, P.; Grzybowski, BA | Chimica. Sci. (2020),11, 6736-6744
Algorithmic Discovery of Tactical Combinations for Advanced Organic Syntheses
Gajewska, EP; Szymkuc, S.; Dittwald, P.; Startek, M.; Popik, O.; Mlynarski, J.; Grzybowski, BA | Chimica (2020), 6, 280-293
Navigating around Patented Routes by Preserving Specific Motifs along Computer-Planned Retrosynthetic Pathways
Molga, K., Dittwald, P., Grzybowski, BA | Chimica (2019), 5, 460-473
metodo di sintesi di composti chimici
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., | Chimica (2018), 4, 522-532
