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Papers Benchmarks Datasets Tasks

13C NMR chemical shift prediction research benchmarks · SOTA2 Research

13C NMR chemical shift prediction

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

NMRShiftDB2 Latom

0.927MAE

7

Feb 26, 2026

ShiftDB-Lit Lmol (test)

0.506MAE

2

Feb 26, 2026

NMRShiftDB2 Lmol

0.777MAE

2

Feb 26, 2026

Popular datasets

NMRShiftDB2 NMRShiftDB ShiftDB-Lit

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