# Real-time prediction of <sup>1</sup> H and <sup>13</sup> C chemical shifts with DFT accuracy using a 3D graph neural network

> Research article (Chemical Science, 2021) · cited 129× · AI/ML

**Wikidata**: [openalex:W3189795580](https://www.wikidata.org/wiki/openalex:W3189795580)  
**Source**: https://4ort.xyz/entity/real-time-prediction-of-sup-1-sup-h-and-sup-13-sup-c-chemical-shifts-with-dft-accuracy-using-a-3d-graph-neural-network