A new algorithm opens the door for using artificial intelligence and machine learning to study the interactions that happen ...

In a collaborative effort, researchers at the University of Amsterdam and the HFML-FELIX institute in Nijmegen have been able ...

Hitherto, no attempt has been made to identify exhaustively feasible pathways for any mechanism of a given reaction catalyzed by a catalyst with multiactive ... by resorting to the inordinately ...

In a study published in the journal Nature Synthesis, a research team led by Professor Ken Tanaka from Tokyo Institute of Technology developed a rhodium (Rh)-catalyzed enantioselective [2+2+1] ...

The site-selectivity classification task is optimized alongside with two molecular property regression tasks of reaction substrates (arene and ... of training the MT-GNN model using the ...

2015). In this mechanism, the TEMPO molecule is oxidized by transferring two electrons toward the carbon felt electrode; the oxidized form of TEMPO then catalyzes the oxidation reaction of the ...

ACS publishes C&EN. Sharpless and Meldal independently developed the first click reaction about 20 years ago. The copper-catalyzed reaction between an azide and an alkyne produces a highly stable ...