Researchers overcome computational limitations to predict the starting materials of multi-step reactions using only information about the target product molecule. Researchers overcome computational ...
The GraSSCoL framework consists of three stages: pre-processing, generation, and re-ranking. Decoding cosmic evolution depends on accurately predicting the complex chemical reactions in the harsh ...
Guided by quantum chemical calculations, scientists design and test a new single atom catalyst that converts propane to propylene with 100% efficiency, with little deactivation by coking. If adopted ...
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