MolR uses graph neural networks (GNNs) as the molecule encoder, and preserves the equivalence of molecules w.r.t. chemical reactions in the embedding space. Specifically, MolR forces the sum of the ...

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Automated creation and manipulation of Chemical Reaction Networks (CRNs) in heterogeneous catalysis, allowing the evaluation of species and reaction properties with data-driven ML models and the ...

Prof. Polanyi took as his subject, “The Transition State in Chemical Reactions”, and illustrated his remarks with particular reference to the ozone-oxygen reaction. Molecules are closely ...

Chemical modification describes the modification, addition or removal, through chemical reaction, of any of a variety of macromolecules, including proteins and nucleic acids. It refers to the use ...

An annual award championed by the ACS’s Board Committee on Corporation Associates to recognize teams of industrial chemical scientists whose work has led to the development of successful ...

Many chemical reactions are irreversible. In a chemical reaction, new materials are always formed. Sometimes these new materials are useful to us. Irreversible changes are permanent. They cannot ...

Researchers have discovered that microwaves can drastically enhance hydrogen ... reaction. Professor Hyungyu Jin stated, “This research has the potential to revolutionize the commercial viability of ...

Results and discussion: FeSe 2 nanospheres successfully catalyzed the reduction of hydrogen peroxide to water and alcohol, demonstrating enzyme-like activity. The initial reaction rate was 11 times ...