Judging Chemical Reaction Practicality From Positive Sample only Learning
Table 7: Comparison of F1-score for practicality judgment on USPTO + Chemical.AI-Real-1(%)
['[BOLD] Model', '[BOLD] Case', '[BOLD] Precision', '[BOLD] Recall', '[BOLD] F1-score', '[BOLD] Accuracy']
Obviously, Siamese network outperforms all the others, especially on the negative cases, which shows Siamese network could effectively handle the data imbalance issue.