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How to Use Reaxys Reaction Data to Create Chemistry Models

Posted on February 11th, 2021 by in Chemistry

These days, a chemist’s digital tools are as valued as the physical ones, and those digital tools are enabling chemists to do some amazing things in the lab. One example is predictive reaction chemistry, a thriving area with a rapidly-developing variety of algorithms and approaches.   

The Entellect Reaction Workbench is a modeling environment designed to improve predictive reaction chemistry outcomes, and it has applicability in early drug discovery and new product chemical research when data scientists are leveraging reaction data. This solution, which brings scalability into chemistry modeling, can help teams benchmark published models using Reaxys reaction data, access harmonized Reaxys reaction data for predictive modeling, and create their own predictive models.   

If you’d like to learn more about how to get the Entellect Reaction Workbench to do some heavy lifting for you, there is an upcoming webinar that can offer insight. On February 16, Reaction Workbench product manager Dr. Michael Collingsworth and Elsevier chemistry consultant Dr. Eric Gilbert will present Use Reaxys® Reaction Data to Create Chemistry Models.

In this webinar, these two experts will introduce attendees to the workbench environment, and demonstrate its capabilities—including how to use it to create a model that predicts reaction conditions. It’s a perfect opportunity to explore ways to get better outcomes in predictive reaction chemistry.

To watch the webinar, register here.

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