Applying Active Learning toward Building a Generalizable Model for Ni-Photoredox Cross-Electrophile Coupling of Aryl and Alkyl Bromides

[bdeadman]

paper
Spreadsheet of data includes reactant smiles and is available as paper SI.

Most complex part of this dataset preparation will be that it uses 2 separate methods (solid vs liquid alkyl bromide) so 2 templates will need to be created, and a custom enumeration script will be required. Ben (ORD Manager) can help with that.