#machine learning
Jan 2026
From Human Labels to Literature: Semi-Supervised Learning of NMR Chemical Shifts at Scale
The results demonstrate that large-scale unlabeled spectra mined from the literature can serve as a practical and effective data source for training NMR shift models, suggesting a broader role of literature-derived, weakly structured data in data-centric AI for science.
Yongqi Jin, Ye Wang, Jun-jie Wang et al.
· arXiv.org · 1 citation