Neural network corrects residual errors in isotopologue energy extrapolations for CO2 (MAE reduction in >87% of levels vs Marvel) and transfers patterns to improve CO predictions in >93% of samples.
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Machine learning isotope shifts in molecular energy levels
Neural network corrects residual errors in isotopologue energy extrapolations for CO2 (MAE reduction in >87% of levels vs Marvel) and transfers patterns to improve CO predictions in >93% of samples.