역합성 계획을 위한 인공 지능에는 데이터와 전문 지식이 모두 필요합니다.
F. Strieth-Kalthoff, S. Szymkuć, K. Molga, A. Aspuru-Guzik, F. Glorius 및 BA Grzybowski, J. Am. 화학. 사회, 146, 16 (2024)

알칼로이드 총 합성에서 컴퓨터 지원 키 단계 생성.
Yingfu Lin, Rui Zhang, Di Wang, Tim Cernak, 과학, 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
린, Y., 장, Z., 마쥬르, B. et al. Nat Commun  12, 7327 (2021).

Computational planning of the Computational planning of the synthesis of complex natural products
Mikulak-Klucznik, B., Gołębiowska, P., Bayly, A.A. et al. Nature 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.; Beker, W.; Moskal, M.; 디트발트, P.; 그지보프스키, BA | 화학 과학. (2020),11, 6736-6744

Algorithmic Discovery of Tactical Combinations for Advanced Organic Syntheses
Gajewska, EP; Szymkuć, S.; 디트발트, P.; 스타텍, ​​엠.; Popik, O.; Mlynarski, J.; 그지보프스키, BA | 켐(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

방법 합성 화합물의
트라이스, 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., | 켐(2018), 4, 522-532