Judging Chemical Reaction Practicality From Positive Sample only Learning
Table 6: Ablation study for practicality judgment(F1 Score on Positive case / Negative case) (%)
['Features', 'Case', '[BOLD] USPTO + Chemical.AI-Real-1 Precision', '[BOLD] USPTO + Chemical.AI-Real-1 Recall', '[BOLD] USPTO + Chemical.AI-Real-1 F1', '[BOLD] USPTO + Chemical.AI-Real-1 Acc', '[BOLD] USPTO + Chemical.AI-Rule Precision', '[BOLD] USPTO + Chemical.AI-Rule Recall', '[BOLD] USPTO + Chemical.AI-Rule F1', '[BOLD] USPTO + Chemical.AI-Rule Acc']
We investigate the effect of different features in our model by removing them one by one. If we remove either RSD or DLG Tokenizaton, the performance drops. This result indicates that both features play an important and complementary role in the feature representation.