BJD 18/5/2026 - Reserved by a reward applicant. GitHub assignment TBC.
ChemRxiv
JACS Au
Data included as spreadsheet in SI. Single product, but circa 24 ligands, 6 Ni sources, and 12 activator compounds. The SMILES for these appear to be in the spreadsheet though so should be easy enough to prepare.
Main challenge may be that paper may need to be broken up into several smaller datasets or templates.
BJD 18/5/2026 - Reserved by a reward applicant. GitHub assignment TBC.
ChemRxiv
JACS Au
Data included as spreadsheet in SI. Single product, but circa 24 ligands, 6 Ni sources, and 12 activator compounds. The SMILES for these appear to be in the spreadsheet though so should be easy enough to prepare.
Main challenge may be that paper may need to be broken up into several smaller datasets or templates.