Pharma R&D Today

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Can predictive retrosynthesis become a valuable part of a chemist’s toolkit?

Posted on January 18th, 2022 by

“Yes. I was amazed by the Reaxys Predictive Retrosynthesis technology,” says Moritz Classen of the Carreira Research Group at ETH Zurich. He and his colleagues spent months evaluating the tool as they applied it into their daily workflows. “It’s already very user-friendly and really does save a lot of time”. So, what can chemists exactly expect when using predictive retrosynthesis tools?

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Big Data in Chemistry is featured in a new webinar series

Posted on November 11th, 2021 by

We talk a lot about how innovation is driven by technological advances such as AI and machine learning – but equally important to innovation are partnerships and collaborations. The R&D Collaboration Network, founded in 2015, brings together top-class researchers in chemical informatics and computational chemistry who need access to comprehensive, accurate, diverse and deep sources of chemical data as input to their research programs, in order to drive innovation via the development of visual and/or predictive analytics approaches.

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At the leading edge of an innovation hotspot: predictive reaction modeling

Posted on September 8th, 2021 by

Indisputably, a surge in predictive machine learning models to support synthetic chemistry has galvanized a movement to make these tools effective R&D solutions. Reaxys has been part of this innovation journey from the beginning. Today, Reaxys includes an award-winning Predictive Retrosynthesis solution that merges deep neural networks trained on Reaxys data with a Monte Carlo tree search to quickly discover promising candidate routes. Users explore these routes and new synthetic spaces via an intuitive interface that links to Reaxys content on commercial availability and accelerates design-make-test-analyze (DMTA) cycles.

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Companies pledge to become net zero by 2040

Posted on August 31st, 2021 by

The Intergovernmental Panel on Climate Change (IPCC) just released a special report on the impacts of climate change, and the findings suggest a very concerning picture of the future if greenhouse gas emissions continue at the current rate. The drastic changes in the weather, driving everything from wildfires to drought, are already giving us a preview of an increasingly turbulent future – and the knock-on effects can be seen in resulting crises like the large-scale loss of crops and homes.

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