3. Results and discussion
3.1 Performance evaluation
In order to show the model performance on the reaction superiority
classification task, the accuracy, precision, recall, F1-score and the
area under receiver operating characteristic curve (ROC-AUC) are adopted
as evaluation metrics. In this work, the developed model is compared
with other models by examining their performance with different message
aggregation methods and investigating the utilization of the AIR
residual in exploring the appropriate structure in the backbone model.
The testing set evaluation results of all models are shown inTable 4 . And the structure and training parameters of the
baseline models are detailed in Supplementary Information .