Supplementary codes and data for "Developing Pharmaceutically Relevant Pd-Catalyzed C–N Coupling Reactivity Models Leveraging High-Throughput Experimentation" (DOI: 10.1021/jacs.5c00933)

This repository contains reaction data and modeling codes for the publication "Developing Pharmaceutically Relevant Pd-Catalyzed C–N Coupling Reactivity Models Leveraging High-Throughput Experimentation" (Ha, S. K.; Kalyani, D.; West, M. S.; Xu, J.; Lam, Y.-h.; Struble, T.; Dreher, S.; Krska, S. W.; Buchwald, S. L.; Jensen, K. F. J. Am. Chem. Soc. 2025, DOI: 10.1021/jacs.5c00933).Please cite the above paper when using this dataset.Reaction data (before and after deduplication) are provided as csv files. Other processed data files and model codes are provided in a compressed folder, with additional details outlined in the accompanying readme.txt.