“…Notably, a novel and simple descriptor called molecular additive fingerprint (MAF), 14 developed by our group, was used in this study. 15 The results showed that MAF was more effective than other descriptors in terms of reaction prediction (for details, see the ESI, Table S13†). With the MAF descriptor, 4 ML methods, 16 including Support Vector Regression (SVR), Gradient Boosted Trees (GBT), Random Forest Regression (RF), and eXtreme Gradient Boosting (XGB), were evaluated.…”