Mathematics and computing articles within Nature Chemistry

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  • Thesis |

    Large language models such as ChatGPT have been predicted to lighten the load for some workers but make some roles obsolete. Michelle Francl explores what they can do for chemistry professors.

    • Michelle Francl

  • Q&A |

    Jeremy Frey, professor of physical chemistry at the University of Southampton and principal investigator for the AI3SD Network+, talks with Nature Chemistry about the perils of uncertainty in the quality of machine learning data and the synergies between AI and other technologies.

    • Russell Johnson

  • Article |

    The anomeric effect, which influences the position of polar substituents in the chair conformation of various heterocycles, is commonly rationalized using hyperconjugation. Now, by theoretically studying molecules that display the anomeric effect, strong evidence is provided that hyperconjugation is not responsible and it is better interpreted in terms of electrostatics.

    • Yirong Mo

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