The article from Gajewska et al. explores the use of computational methods to identify tactical combinations (TCs) in organic synthesis. TCs are two-step reaction sequences that initially complexify a target structure, enabling significant structural simplification in subsequent steps. Traditionally, these combinations have been difficult to identify, with only about 500 cataloged to date. This study demonstrates that computers can systematically discover millions of viable TCs, many of which have no prior literature precedent, thereby unlocking new and elegant synthetic approaches.

Synthia^® plays a crucial role in this domain by leveraging its extensive database of expert-coded reaction rules and advanced algorithms. It enables chemists to explore innovative synthetic pathways that incorporate these newly discovered TCs, enhancing the efficiency and creativity of synthetic planning. By integrating Synthia^® into the synthesis process, researchers can streamline the design of complex syntheses, making it a valuable tool for modern synthetic chemistry.The article from Szymkuć et al. explores the development of alternative synthetic routes for these antiviral drugs using computer-assisted retrosynthesis. Faced with the challenges of the COVID-19 pandemic, researchers utilized advanced computational tools to devise multiple contingency plans that circumvent known and patented routes, starting from inexpensive and diverse raw materials. This approach ensures a stable supply chain in the face of potential shortages of commonly used substrates.

Synthia^®, plays a pivotal role in this process by leveraging its extensive database of expert-coded reaction rules and advanced algorithms. It enables chemists to explore innovative synthetic pathways that are both cost-effective and scalable. By integrating Synthia^® into the synthesis planning process, researchers can efficiently design alternative routes, enhancing the resilience of pharmaceutical supply chains during global disruptions.
This study underscores the importance of computational tools like Synthia^® in modern synthetic chemistry, particularly in times of crisis when rapid and reliable access to essential medications is critical.


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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