“Dataset Design for Building Models of Chemical Reactivity” Raghavan, P; Haas, B. C.; Ruos, M. E.; Schleinitz, J; Doyle, A. G.; Reisman, S. E.; Sigman, M. S.; Coley, C. W. J. Am. Chem. Soc. 2023, 145, 24175-24183.
[DOI: 10.1021/jacs.3c08301] Link PDF
