Researchers overcome computational limitations to predict the starting materials of multi-step reactions using only information about the target product molecule. Researchers overcome computational ...

WEST LAFAYETTE, Ind. – Machine learning has been used widely in the chemical sciences for drug design and other processes. The models that are prospectively tested for new reaction outcomes and used ...

Scientists have engineered a highly selective catalyst that can convert methane, a major component of natural gas, into methanol, an easily transportable liquid fuel, in a single, one-step reaction.

New research published in Nature Materials from Associate Professor Tanja Cuk and colleagues sheds light on a fundamental chemical reaction — the breaking apart of water to produce a molecular fuel ...

The chemical reactions of hydrogen combustion occur because certain atoms and molecules are very reactive—they are unstable on their own and quickly combine with other molecules or atoms. Adding the ...

The proposed method for anti-Michael addition in this study can enable one-step synthesis of α-substituted carbonyl compounds, which are commonly used in pharmaceuticals. Their study was made ...