RoboRXN

IBM RXN for Chemistry: Unveiling the grammar of the organic chemistry language

In our paper “Extraction of organic chemistry grammar from unsupervised learning of chemical reactions,” published in the peer-reviewed journal Science Advances, we extract the "grammar" of organic chemistry's "language" from a large number of organic chemistry reactions. For that, we used RXNMapper, a cutting-edge, open-source atom-mapping tool we developed.

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IBM Molecule Generation Experience: Supercharging new materials design with AI and Hybrid Cloud

IBM researchers in Japan launch the IBM Molecule Generation Experience, a tool that accelerates new materials design with AI and Hybrid Cloud.

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IBM boosts material discovery to make gadgets more sustainable

PAGs play a vital role in the manufacturing of computer chips. They are also one of several classes of chemical compounds that have recently come under enhanced scrutiny from environmental regulators. Researchers have been racing to create more sustainable ones – but the traditional process of discovering new materials is too slow, too costly, and too risky. So IBM researchers have turned to AI for help – and created new PAGs much, much faster, paving the way to the era of Accelerated Discovery.

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RoboRXN: Automating Chemical Synthesis

For most of us, chemistry is a distant childhood memory that takes us back to our school days where we got to experiment with chemical reactions. I mean who didn’t love the school science fair? It was the one occasion we were allowed to make a mess in the kitchen by mixing baking soda, vinegar, […]

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