Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning

Nandy, A., Duan, C., Taylor, M.G., Liu, F., Steeves, A.H., & Kulik, H.J. (2021). Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning. Chemical Reviews121, 9927–10000.