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. Author manuscript; available in PMC: 2023 Mar 28.
Published in final edited form as: J Chem Inf Model. 2022 Mar 10;62(6):1376–1387. doi: 10.1021/acs.jcim.1c01467

Table 2:

Results for reaction type classification. The lower the confusion entropy of a confusion matrix79 (CEN) and the higher the Matthews correlation coefficient80 (MCC) the better. The bold entries highlight the best-performing approach.

Model Accuracy CEN MCC
BERT classifier56 0.989 0.006 0.989
T5Chem 0.995 0.003 0.995