Table 6. Performance of top 5 binary classification models of all fish for the external validation set.

Model a	AUC	CA	SP	SE
Maccs_ANN	0.89	0.83	0.83	0.82
Est_SVM	0.88	0.82	0.86	0.80
Maccs_SVM	0.85	0.82	0.89	0.78
KR_SVM	0.85	0.80	0.86	0.77
Pub_SVM	0.83	0.81	0.87	0.76

^aAP2D: AP2D fingerprint, Est: estate fingerprint, Ext: extended fingerprint, FP: fingerprint, Graph: graphonly fingerprint, KR: Klekota-Roth fingerprint, Maccs: MACCS fingerprint, Pub: PubChem fingerprint, Sub: substructure fingerprint; ANN: artificial neural network, CT: classification tree, kNN: k-nearest neighbor, NB: naïve bayes, RF: random forest, SVM: support vector machine.