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SciFinder-n introduces new features for predictive inverse synthesis

Release time: 2020/1/16 10:30:35 Click times: 3890
This article tags: Computer Aided Synthesis Design

On January 13, the Chemical Abstracts Service (CAS), a division of the American Chemical Society, announced the addition of a breakthrough reverse synthesis function to SciFindern. This is a computer-aided synthesis design (CASD) solution that uses artificial intelligence (AI) technology and combines CAS's unparalleled collection of scientist-crafted response content with John Wiley and Sons , Inc.) award-winning chemical synthesis software ChemPlanner to find predicted reverse synthetic routes for known and novel compounds. "

The SciFindern reverse synthesis design function uses an advanced reverse synthesis engine to construct routes to target compounds, including 121 million experimental and predictive reaction steps in the CAS content collection. The CAS content collection has been carefully compiled by relevant personnel, incorporating scientific research data compiled over the past 110 years, and enjoys a world-wide reputation. Combining AI technology with this unique high-quality data set can maximize the role of CASD technology, bring new insights, and solve synthesis problems.

SciFindern's dynamic, interactive solutions allow chemists to easily view alternative reaction steps, use intuitive methods to stimulate their new ideas, evaluate alternative synthetic strategies, and compare tactical approaches. SciFindern's reverse synthesis capabilities can be used in key chemical R & D workflows, including innovative synthesis of new molecular entities, scale-up reactions, and finding new breakthroughs in method development. Accelerating these key steps in the development process will help SciFindern customers bring more innovations to market in less time.

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