Articles & Whitepapers

  • SYNTHIA SAS API featured in Scientific Computing World 2024

    SYNTHIA™ SAS API Featured in SCW

    Check out this 2024 featured article in Scientific Computing World. SYNTHIA™ retrosynthesis software has become a [...]

  • 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 [...]

Literature References

Artificial Intelligence for Retrosynthetic Planning Needs Both Data and Expert Knowledge.
F. Strieth-Kalthoff, S. Szymkuć, K. Molga, A. Aspuru-Guzik, F. Glorius, and B.A. Grzybowski, J. Am. Chem. Soc., 146, 16 (2024)

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).

Reach out to us

Quickly go from imagining what’s possible to testing what’s probable with a license that fits your needs.