Ilm-NMR-P31: an open-access ³¹P nuclear magnetic resonance database and data-driven prediction of ³¹P NMR shifts

This publication introduces a novel open-access ^(31)P Nuclear Magnetic Resonance (NMR) shift database. With 14,250 entries encompassing 13,730 distinct molecules from 3,648 references, this database offers a comprehensive repository of organic and inorganic compounds. Emphasizing single-phosphorus atom compounds, the database facilitates data mining and machine learning endeavors, particularly in signal prediction and Computer-Assisted Structure Elucidation (CASE) systems. Additionally, the...