Previous studies from HTE provide fully combinatorial datasets that can be used to benchmark active learning strategies. Thus, this is a retrospective study where all true labels are known beforehand. However, we assume that only the true labels of the initial (labelled) training data points and queried data points are known at each iteration. We explored a Buchwald-Hartwig reaction data set and a Suzuki reaction data set . The Suzuki data set consists of 5769 Suzuki-Miyaura couplings with five varied reaction variables, namely, reactant 1, reactant 2, ligand, base and solvent. We discarded the fourth choice of reactant 2 to obtain a fully combinatorial dataset which consisted of 4608 data points. The Buchwald-Hartwig data set consists of 4608 cross-couplings of aryl halides with four reaction variables, aryl halide, additive, ligand and base.