La inteligencia artificial para la planificación retrosintética necesita tanto datos como conocimiento experto.
F. Strieth-Kalthoff, S. Szymkuć, K. Molga, A. Aspuru-Guzik, F. Glorius y BA Grzybowski, J. Am. Química. soc., 146, 16 (2024)

Generación de pasos clave asistida por computadora en la síntesis total de alcaloides.
Yingfu Lin, Rui Zhang, Di Wang, Tim Cernak, Ciencia, 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. 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. et al. Naturaleza 588, 83 – 88 (2020).

"Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir"
Szymkuć, S.; Gajewska, E.P.; Molga, K.; Wołos, A.; Roszak, R.; Beker, W.; Moskal, M.; Dittwald, P.; Grzybowski, BA. Chem Sci (2020), 11, 6736-6744

"Algorithmic Discovery of Tactical Combinations for Advanced Organic Syntheses"
Gajewska, E.P.; Szymkuc, S.; Dittwald, P.; Startek, M.; Popik, O.; Mlynarski, J.; Grzybowski, B.A. Chem (2020), 6, 280-293

"Navigating around Patented Routes by Preserving Specific Motifs along Computer-Planned Retrosynthetic Pathways"
Molga, K., Dittwald, P., Grzybowski, B.A., Chem (2019), 5, 460-473

Método de sintetizar compuestos químicos
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, B.A. et. al., Chem (2018), 4, 522-532