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Model scope:
This prediction uses a minimal empirical additivity model. It is intended for small to medium organic molecules and typical functional groups. Results may be unreliable for large, highly branched, strained, hydrogen-bonded, substituted aromatic or strongly conjugated systems.
Model scope:
This ML model is trained on the QM9NMR dataset and supports
molecules containing only C, H, N, O, and F atoms.
Predictions for very large molecules or molecules containing other elements are not supported
and may fail or return incorrect results.