CAS introduces stereoselective labeling in the CAS SciFinder® retrosynthesis tool – a first-of-its-kind capability in the world of scientific technology solutions

The new capability combines the industry-leading CAS Content Collection^™ with cutting-edge technology and enables scientists to innovate with confidence

COLUMBUS, Ohio, Oct. 29, 2024 /PRNewswire/ — CAS, a division of the American Chemical Society specializing in scientific knowledge management, now offers precise labeling of stereoselective steps within CAS SciFinder predictive retrosynthesis. Available within a global scientific information solution for the first time ever, this unique and vital capability enables researchers to design molecules with higher precision, e.g., new drugs with higher efficacy and fewer side effects.

Alongside human-curated, predictive stereochemistry within CAS SciFinder, CAS also increased coverage of unique stereoselective transformations by 30% and enabled new filtering options on alternative steps allowing users to narrow their search by stereochemistry.

“Stereochemistry plays a pivotal role in various scientific and industrial applications, from agriculture to pharmaceuticals to cosmetics,” said Dr. Michael Dennis, Chief Science Officer at CAS. “The new stereochemical labeling capability within CAS SciFinder is essential for the work of research scientists as it helps them achieve the desired properties and uses of the target compound and comply with consumer safety requirements, as well as uncover opportunities to streamline industrial synthesis.”

Adding the stereochemistry capability to CAS SciFinder has been an ongoing innovation effort at CAS. Creators of the world’s largest, most reliable chemical reaction collection, scientists and technologists at CAS continuously add new capabilities to their scientific information solutions and custom services, all aiming to enable researchers to make more effortless connections between their work and past discoveries and to walk the path from idea to execution faster.

“To provide our users with the very best in scientific technology, we constantly refine and improve our solutions,” said Tim Wahlberg, Chief Product Officer at CAS. “The stereochemistry capability within CAS SciFinder, paired with the high-quality, structured data in the CAS Content Collection, is a significant breakthrough and a powerful new addition to a researcher’s toolbox, empowering them to plan confidently and to create safer innovations.”

For more information on the retrosynthetic analysis capabilities available in CAS SciFinder, visit https://link.cas.org/retrosynthesis.

About CAS

CAS connects the world’s scientific knowledge to accelerate breakthroughs that improve lives. We empower global innovators to efficiently navigate today’s complex data landscape and make confident decisions in each phase of the innovation journey. As a specialist in scientific knowledge management, our team builds the largest authoritative collection of human-curated scientific data in the world and provides essential information solutions, services, and expertise. Scientists, patent professionals, and business leaders across industries rely on CAS to help them uncover opportunities, mitigate risks, and unlock shared knowledge so they can get from inspiration to innovation faster. CAS is a division of the American Chemical Society. Connect with us at cas.org.

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SOURCE CAS