CAS launches new predictive retrosynthetic capabilities in SciFinder -

CAS, a division of the American Chemical Society, has announced the launch of a breakthrough retrosynthetic capability in SciFindern as part of their continued commitment to helping R&D leaders accelerate scientific discovery. This computer-aided synthetic design (CASD) solution utilises 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.

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 recognised as the most comprehensive in the world. Pairing AI with this unique, high-quality dataset maximises 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. SciFinder'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.

Brought to you by Scope e-Knowledge Center, a trusted global partner for digital content transformation solutions - Abstracting & Indexing (A&I), Knowledge Modeling (Taxonomies, Thesauri and Ontologies), and Metadata Enrichment & Entity Extraction.

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