Benchmark Performance (   C):

 

DELTA50 (gold standard small, rigid-molecule validation):

RMSE: 0.63 ppm

MAE: 0.75 ppm

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>500+ Lignin & Cell Wall compounds (DFRC NMR DB)

RMSE: 0.96 ppm

MAE: 0.73 ppm

*across CDCl3-d, acetone-d6, and DMSO-d6

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420    CNP (420 flexible published NP's, >200 scaffolds)

RMSE:1.66 ppm

MAE: 1.24 ppm