Mediating chemistry and large language models via a chemical language chain-of-thought strategy (NMR chemical shift prediction MultiNMR-2.2M weight)

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Li Liangning, Sun Hanyun
DOI: 10.5281/zenodo.18463434
Cited by: 0

Abstract

NMR chemical shift prediction MultiNMR-2.2M weight for our study based on CL-CoT.

Fields of Study & Subjects

Advanced NMR Techniques and Applications Computational Drug Discovery Methods Machine Learning in Materials Science

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
1 February 2026
Document type
Dataset