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Table 1 Targeted data set and the performance of the SVM models

From: A de novo molecular generation method using latent vector based generative adversarial network

Target

Training set

Test set

SVM model

ROC-AUC

Kappa value

EGFR

2949

2326

0.850

0.56

HTR1A

48,283

23,048

0.993

0.90

S1PR1

49,381

23,745

0.995

0.91

  1. Training set size (training set), test set size (test set), receiver operating characteristic area under the curve (ROC-AUC), kappa value
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Journal of Cheminformatics

ISSN: 1758-2946

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