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Table 7 Comparison of neural network models and classifiers in Mol2vec test set performance, and the bold marks the best in the table

From: Deep learning-based classification model for GPR151 activator activity prediction

Feature

Classifier

Accuracy

Precision

Recall

F1

Trend

Mol2vec

CNN

0.9085

0.7895

0.679

0.7301

\(\uparrow\)

LSTM

0.8996

0.7444

0.6831

0.7124

\(\uparrow\)

Bi-LSTM

0.8988

0.7389

0.6872

0.7122

\(\uparrow\)

CNN+LR

0.904

0.7626

0.6872

0.7229

\(\uparrow\)

CNN+KNN

0.8958

0.7524

0.639

0.6904

\(\uparrow\)

CNN+RF

0.91

0.7971

0.679

0.7333

\(\uparrow\)

CNN+DT

0.8718

0.6651

0.5967

0.6291

\(\uparrow\)

CNN+SVM

0.9153

0.7928

0.7243

0.757

\(\uparrow\)

LSTM+LR

0.8973

0.7431

0.6667

0.7028

\(\uparrow\)

LSTM+KNN

0.8861

0.7136

0.6255

0.6667

\(\downarrow\)

LSTM+RF

0.8973

0.7409

0.6708

0.7041

\(\uparrow\)

LSTM+DT

0.8628

0.65

0.535

0.5869

\(\uparrow\)

LSTM+SVM

0.8951

0.7191

0.6955

0.7071

\(\uparrow\)

Bi-LSTM+LR

0.8973

0.7409

0.6708

0.7041

\(\uparrow\)

Bi-LSTM+KNN

0.8921

0.7302

0.6461

0.6856

-

Bi-LSTM+RF

0.8973

0.7477

0.6584

0.7002

\(\uparrow\)

Bi-LSTM+DT

0.8711

0.6621

0.5967

0.6277

\(\uparrow\)

Bi-LSTM+SVM

0.9003

0.7523

0.6749

0.7115

\(\uparrow\)