. 2024 Mar 6;9(11):13006–13016. doi: 10.1021/acsomega.3c09392

Table 3. Evaluation of the Classification Based on Regression Models Built Using the Three Different Algorithms to Predict the M/P Ratio of the Chemicals^a.

algorithm	accuracy	sensitivity		specificity	F-score
	(internal) test data (%)	(internal) test data (%)	external test data set (%)	(internal) test data (%)	(internal) test data (%)
SVM	74.67	60	60.58	82	61.22
XGBoost	72	64	65.89	76	60.38
RF	73.33	68	75.97	76	62.96

For each model, the classification accuracy is listed for the (internal) test data. The sensitivity is listed for both (internal) test data and the external test data set. The specificity and F-score are listed for (internal) test data.

Table 3. Evaluation of the Classification Based on Regression Models Built Using the Three Different Algorithms to Predict the M/P Ratio of the Chemicalsa.

Table 3. Evaluation of the Classification Based on Regression Models Built Using the Three Different Algorithms to Predict the M/P Ratio of the Chemicals^a.