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Advances to SYNTHIA™ Retrosynthesis Software and How They Have Accelerated Chemical Development at GlaxoSmithKline (GSK)

Available On Demand

John Jin Lim

John Jin Lim, MS

Senior Scientist
API Chemistry
GlaxoSmithKline plc (GSK)

Ewa Gajewska

Ewa Gajewska, PhD

Chemistry Development Manager,
Cheminformatics Technologies
Merck KGaA, Darmstadt, Germany

The development of new medicines can be daunting and time-consuming. Consequently, the use of cheminformatics solutions to automatically plan organic chemical routes has increased in recent years, with computer-aided synthesis now able to rapidly generate synthetic routes to identified targets. By leveraging these advanced technologies, SYNTHIA™ retrosynthesis software has become a strategic, cutting-edge laboratory companion for organic chemists.

In this webinar, you will learn about:

  • the evolution of SYNTHIA™ retrosynthesis software;
  • how recent innovations have enhanced this technology;
  • the benchtop validations that are making this tool a strategic, cutting-edge laboratory companion for organic chemists;
  • the application of SYNTHIA™ retrosynthesis software to solve specific chemical problems prior to route selection.

Hand-coded by chemists and engineered by computer scientists, SYNTHIA™ retrosynthesis software draws from a vast chemical abstracts database of advanced organic synthesis rules and algorithms to allow easy navigation through viable pathways. This synthetic planning tool accounts for stereoselectivity and regioselectivity, presenting the user with the most viable pathways to explore, based upon pre-defined search parameters and starting materials.

In the first part of this webinar, Ewa Gajewska, Ph.D., Chemistry Development Manager for Cheminformatics Technologies at Merck KGaA, Darmstadt, Germany provides an overview of the evolution of SYNTHIA™ retrosynthesis software, recent enhancements, and examples of benchtop validation. John Jin Lim, Head of CASD (computer-aided synthesis design) at GSK, then describes how his team applied SYNTHIA™ retrosynthesis software to solve specific chemical problems prior to route selection, to accelerate development timelines.

The life science business of Merck KGaA, Darmstadt, Germany operates as MilliporeSigma in the U.S. and Canada.

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Cartoon depicting a cheminformatician at a computer using the SYNTHIA™ retrosynthesis software to represent computer-aided pathway design
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