Advances to SYNTHIA™ Retrosynthesis Software and How They Have Accelerated Chemical Development at GlaxoSmithKline (GSK)
On-demand
John Jin Lim, MS
John Lim (MS) leads the CASD Team at GSK Chemical Development, which uses computational tools, such as SYNTHIA™ retrosynthesis software, for the route selection process. He obtained his Bachelor’s degree from the University of Pennsylvania, interning in the lab of Dr. Amos Smith, and completed his MS degree in Chemistry from Yale University in 1999, working under Dr. John Wood. He began his career at Merck & Co., Inc. in medicinal chemistry, working on a variety of lead ID and lead optimization programs. He joined GSK in 2012 and shifted his focus to process chemistry. Recently, he collaborated in the development of the flow process for Duvroq™ (daprodustat), which was approved in Japan in 2020 for the treatment of anemia.
CloseEwa Gajewska, PhD
Ewa Gajewska works as Chemistry Development Manager of Cheminformatics Technologies at Merck KGaA, Darmstadt, Germany. She studied Biotechnology and Chemistry at the Gdansk University of Technology and received the Outstanding Achievements Award from Poland’s Minister of Science and Higher Education in 2013. In 2020, she obtained her Ph.D. from the Institute of Organic Chemistry at the Polish Academy of Sciences under the direction of Professor Bartosz Grzybowski. Her doctoral work was devoted to the development of the SYNTHIA™ retrosynthesis software for computer-aided synthetic planning. She participated in all stages of the software’s design, both in expanding the chemical knowledge database and developing the algorithms. She currently leads the Chemistry R&D Team in Warsaw, Poland.
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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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