CAS Rolls Out New Predictive Retrosynthetic Capabilities in SciFinder-n

Next-generation solution further accelerates idea generation and efficiency in developing novel chemical syntheses

COLUMBUS,Ohio,Jan. 13,2020 --As part of their continued commitment to helping R&D leaders accelerate scientific discovery,today CAS,a division of the American Chemical Society,announced the launch of a breakthrough retrosynthetic capability in SciFindern. This computer-aided synthetic design (CASD) solution utilizes AI technology,powered by CAS's unmatched collection of scientist-curated reaction content and leverages John Wiley and Sons,Inc.'s award-winning ChemPlanner technology to now identify predicted retrosynthetic routes for both known and novel compounds.

"Synthetic planning is a critical step in the R&D pipeline and is often a significant bottleneck impeding speed to market," says Tim Wahlberg,Vice President,Product Management at CAS. "Customers have responded enthusiastically to the new retrosynthetic capabilities we launched in SciFindern last year,and we are excited to extend this technology with predictive enhancements that allow chemists to be significantly more innovative,more confident,and more efficient."

The SciFindern retrosynthesis planner uses an advanced retrosynthetic engine to construct routes to desired compounds consisting of experimental and predicted reaction steps from 121 million reactions in the CAS collection amassed over 110 years of chemistry research. CAS human-curated scientific content is recognized as the most comprehensive in the world. Pairing AI with this unique,high-quality dataset maximizes the power of CASD technology to provide new insights to help solve vexing synthesis challenges.

The dynamic,interactive plans developed in SciFindern allow chemists to easily review alternative reaction steps,providing an intuitive means to inspire new thinking,evaluate alternative synthetic strategies and compare tactical approaches. SciFindern's retrosynthetic capabilities support critical chemistry R&D workflows including synthesizing new molecular entities innovations,reaction scale up,and identifying opportunities for new breakthroughs in methods development. Expediting these key steps in the R&D pipeline will allow SciFindern customers to get more new innovations to the market more quickly.

About CAS

CAS,a division of the American Chemical Society specializing in scientific information solutions,partners with R&D organizations globally to provide actionable insights that help them plan,innovate,protect their innovations,and predict how new markets and opportunities will evolve. Scientific researchers,patent professionals and business leaders around the world across commercial,academic and government sectors rely on our solutions and services to advise discovery and strategy. Leverage our unparalleled content,specialized technology,and unmatched human expertise to customize solutions that will giveyour organization an information advantage. With more than 110 years' experience,no one knows more about scientific information than CAS. Learn more at www.cas.org.

About SciFindern

SciFindern,the newest and most advanced solution in the SciFinder®family,allows researchers to eliminate productivity bottlenecks and accelerate their innovations to the market. With optimized access to the unmatched CAS content collection,synthetic planning solutions,and the most advanced chemistry relevance engine in the industry,SciFindern is the scientist's lab partner allowing them to do their best research in record time.

CAS Media Contact:

Tina Tomeo

614-447-3600

cas-pr@cas.org

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