Predictive cheminformatics to be made globally available to researchers

Published: 25-May-2017

Wiley and CAS have collaborated to deliver advanced predictive cheminformatics capabilities

John Wiley and Sons and CAS, a division of the American Chemical Society, have begun a partnership that will accelerate the evolution of predictive synthesis, by enriching Wiley’s award-winning ChemPlanner technology with the most accurate and complete chemical information from CAS.

Rapid advances in the fields of predictive analytics, artificial intelligence and machine learning offer opportunities to enhance the way scientific information is queried and analysed.

ChemPlanner’s cheminformatics technology helps chemists find the best selection of diverse and viable routes for their synthesis, increasing their efficiency and creativity when developing new molecules.

As a provider of digital information solutions, CAS will enhance ChemPlanner with a wealth of additional reaction content and associated references, including reactions from patents.

Our goal is to provide powerful, data-driven content that helps chemists solve global challenges.

Integrating more than 10 times the reaction content and offering new features suggested by current ChemPlanner users – including stereoselective retrosynthetic prediction and customisable relevance ranking – this new version of ChemPlanner will be delivered exclusively in SciFindern, a new research experience from CAS that exponentially elevates scientific discovery.

Matthew J. Toussant, Senior Vice President of Product and Content operations, CAS, said:

“The integration of the rich CAS content portfolio will greatly enhance the quality and scope of ChemPlanner’s predictions, as well as the utility of the resulting synthetic routes to help researchers overcome synthesis challenges faster.”

Jay Flynn, SVP and MD, Research Publishing, Wiley, said: “CAS is big data for chemistry, making this marriage of best-in-class content and technology a natural partnership. Our goal is to provide powerful, data-driven content that helps chemists solve global challenges.”

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