The reaction contains three discrete reaction parameters which were varied in tandem: mono-N-protected amino acid (MPAA) ligand, the palladium pre-catalyst, and the aryl boronate (Scheme 1). All combinations of 31 ligands (plus one control), three pre-catalysts, and two boronates results in 186 unique conditions that were each run in quadruplicate on a 125 nmol scale using nanoscale HTE, outliers were eliminated, and the repeats averaged to ensure reproducibility. For the active learning studies, this dataset would serve as the navigable chemical space that experiments would be simulated within.