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. 2022 Mar 31;7(14):12138–12146. doi: 10.1021/acsomega.2c00424

Table 4. Performance of All Models under Consideration Are Summarizeda.

  auROC
auPR validation accuracy
  I II III
seq based 0.86 (0.003) 0.90 (0.006) 0.85 (0.006) 0.83 (0.007) 0.74 (0.008)
CTD 0.87 (0.005) 0.90 (0.004) 0.86 (0.003) 0.83 (0.003) 0.75 (0.005)
dNNDRa 0.87 (0.007) 0.91 (0.005) 0.86 (0.004) 0.84 (0.005) 0.76 (0.005)
dNNDRb 0.88 (0.005) 0.93 (0.005) 0.87 (0.007) 0.86 (0.007) 0.77 (0.008)
dNNDRc 0.90 (0.002) 0.94 (0.001) 0.89 (0.002) 0.88 (0.003) 0.79 (0.004)
a

All the models were fivefold cross-validated with the standard deviation mentioned alongside every result. The best-performing models among the cross-validated ones are marked in bold. Note: dNNDRa: att-biLSTM, dNNDRb: att-biLSTM + descriptors, dNNDRc: biLSTM + gCNN.