Erratum: The Report “Predicting reaction performance in C–N cross-coupling using machine learning”(Science (2018)360: 6385(eaat7648)Doi: 10.1126/science.aar5169)

Abstract

In the Report “Predicting reaction performance in C–N cross-coupling using machine learning,” the neural network model in Fig. 2 has been modified from the version posted online as First Release. Whereas the prior version was implemented in R’s caret package, the updated version uses the neural net function directly and a greater number of hidden nodes. These changes mitigate convergence issues and improve model performance. A discussion of implementation issues in R caret has been included in the supplementary materials.