WEBINAR:

Revolutionary Retrosynthesis with SYNTHIA™ API

Webinar was part of “Advances in Lab AI” Digital Summit from Lab Manager.

Take your chemistry laboratory workflow to new heights by combining AI with human intelligence! Whether you are looking to brainstorm all the creative ways available to synthesize your target molecule, or you simply want to quickly analyze complete and viable pathways to your targets, SYNTHIA™ Retrosynthesis Software will fit your needs. Expert-coded by chemists and engineered by computer scientists, SYNTHIA™ enables scientists to quickly find and easily navigate innovative and novel pathways for novel and published target molecules.

In this webinar, you will learn about its unique approach of using expert-coded rules combined with modern AI to provide unmatched, innovative synthesis planning. Find out why this decision-support tool is the strategic partner of synthetic organic chemists.
 

Key Learning Objectives:

  • Understand the integration of expert-coded rules and AI in SYNTHIA™ for innovative synthesis planning.
  • Explore how SYNTHIA™ can accelerate pathway discovery and enhance intellectual property generation.
  • Learn about the customization and scalability features of SYNTHIA™ to meet diverse project needs.
     

Summary
The session begins with an introduction to the software's role in various stages of drug discovery, from identifying biological targets to synthesis and scale-up. The presenters highlight the challenges chemists face in retrosynthetic design and how SYNTHIA™ addresses these by using expert-coded rules and advanced algorithms to design viable synthetic pathways quickly.

The webinar also introduces the SYNTHIA™ API offerings, including the Full Retrosynthesis API and the Synthetic Accessibility Score (SAS) API. The Full Retrosynthesis API provides detailed pathway information for target molecules, while the SAS API uses machine learning to predict the synthesis difficulty of molecules. These tools are designed to integrate with cheminformatics platforms, enhancing data analysis and visualization capabilities.

The presentation emphasizes the software's customizability, allowing users to tailor search parameters and eliminate unwanted reactions. The session concludes with a demonstration of the SAS API's performance, showcasing its ability to predict synthesis complexity accurately. The presenters invite questions, highlighting the software's potential to streamline synthesis planning and improve efficiency in drug discovery.

Speaker

Dr. Ewa Gajewska holds a position of a Head of Product Management in Merck, Darmstadt, Germany where she leads the development of SYNTHIA™ Retrosynthesis Software. She graduated in biotechnology and chemistry from the Gdansk University of Technology and was a recipient of the Outstanding Achievements Award from Poland’s Minister of Science and Higher Education. In 2020 she received her PhD from the Institute of Organic Chemistry at the Polish Academy of Sciences. Her doctoral work was devoted to development of the SYNTHIA™ Retrosynthesis Software for computer-assisted synthetic planning.  Her passion for tackling complex scientific challenges within commercial settings and the unique blend of her interdisciplinary skills drive the realization of innovative features of SYNTHIA™ Retrosynthesis Software.

Maciej Wójcikowski, Ph.D.
Cheminformatics Lead, Digital Center of Excellence

Maciej Wójcikowski holds PhD in Biophysics from Institute of Biochemistry and Biophysics Polish Academy of Sciences in Warsaw. His area of research was in-silico drug discovery methods, with Machine Learning based approaches being a major part of his thesis. Maciej joined Synthia R&D group in 2018 and was working on improvements to Synthia cheminformatics predictions ever since. Now serves as a Cheminformatics Lead as part of Digital Center of Excellence.