Articles & Whitepapers

  • The Distillate - Stemoamide synthesis Science paper

    Computer-aided key step generation in alkaloid total synthesis

    In this Science paper from 2023, researchers leveraged SYNTHIA™ Retrosynthesis Software to drastically reduce the [...]

  • Get the Big Picture on SYNTHIA

    Today’s synthesis planning for drug discovery relies on connecting the wisdom and practical expertise of an experienced organic [...]

  • Computational planning of the synthesis of complex natural products

    In this Nature paper from 2020, researchers showcased advances in computer-aided synthetic design. Prior to [...]

Literature References

Computer-aided key step generation in alkaloid total synthesis.
Yingfu Lin, Rui Zhang, Di Wang, Tim Cernak, Science, 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, 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, E.P.; Molga, K.; Wołos, A.; Roszak, R.; Beker, W.; Moskal, M.; Dittwald, P.; Grzybowski, B.A. | Chem. Sci. (2020),11, 6736-6744

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

Method of synthesizing chemical compounds
Trice, S., Knehans, T., Wojcikowski, M. (2019). (PCT/US2019/044068, EP CN SG WO JP US).

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