News | January 13, 2020

CAS Introduces New Possibilities For Predictive Retrosynthesis At SciFindern

An innovative solution accelerates the process of new discoveries and increases the efficiency of the development of advanced methods of chemical synthesis

Columbus, OH / PRNewswire / - In an ongoing effort to assist R&D specialists in accelerating scientific discoveries, the CAS Chemical Abstract service, part of the American Chemical Society, today introduced a truly revolutionary retrosynthetic function in SciFinder n. The Automated Synthetic Design (CASD) solution uses AI technology, a unique collection of CAS scientists' selected chemical reaction data, and recognized ChemPlanner technology from John Wiley and Sons, Inc. in order to identify predicted retrosynthetic pathways for both already known and new components.

"Synthetic planning - an important step in the process of research and development, which is often a significant obstacle to the conclusion of new drugs on the market, - said vice-president for products CAS control Tim Walberg ( by Tim Wahlberg ) -. Our customers enthusiastically responded to last year's appearance retrosynthesis new features in our database SciFinder data n , and today we are pleased to complement the capabilities of this technology predictive functions that allow chemists all over the world will be able to more confidently and effects Nost to create even more innovative products. "

SciFinder n retrosynthesis planner uses an advanced retrosynthetic module to build pathways to target compounds consisting of experimental and predicted chemical reactions, drawing data from a collection of 121 million records collected by CAS experts over a 110-year period of chemical research. The CAS scientific database, carefully verified by the best industry experts, is considered the most comprehensive in the world. And the combination of AI capabilities with this unique content of the highest quality increases the potential of CASD technology in terms of providing analytical support to solve the most complex and unpleasant synthesis problems.

The dynamic and interactive plans drawn up by SciFinder n allow chemists to easily consider alternative reaction options, providing them with intuitive tools for evaluating, comparing and developing various strategic and tactical approaches to the synthesis process. SciFinder n retrosynthetic capabilities provide support for critical R&D tasks in chemistry, including the synthesis of new molecular organisms, the scaling of reactions, and the search for opportunities for new breakthroughs in the development of innovative methods of chemical synthesis. Simplification of these R&D processes will allow SciFinder n users to bring innovation to the market more efficiently and quickly.

About CAS
The Chemical Abstracts Service CAS, part of the American Chemical Society, collaborates with research organizations around the world to provide important scientific and analytical information to help them plan, create and defend innovations, predict market trends and anticipate new opportunities. Researchers, patent law specialists and company executives all over the world rely on our solutions and services for strategic planning and new product development. Using our unique content, specialized technologies and best practices in creating individual solutions, your organization will receive unrivaled informational benefits. With more than 110 years of history, we know more about scientific information than anyone else. Find out more at www.cas.org .

About SciFinder n
SciFinder n , the newest and most advanced SciFinder ® solution , provides researchers with the ability to efficiently solve productivity problems and accelerate their innovation to the market. SciFinder n with optimized access to the unique CAS database, integrated synthesis planning solutions and the most advanced matchmaking module is the ideal partner for laboratory research, allowing scientists to get meaningful results in record time.

Source: CAS

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