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Table 5 Statistical parameters of the artificial neural networks models used for prediction of anti-malarial activity at 3D7 and W2

From: Quantitative structure–activity relationship to predict the anti-malarial activity in a set of new imidazolopiperazines based on artificial neural networks

  Number of compounds 3D7a,b W2c,d
R R2 MSE R R2 MSE
Training set 23 0.973 0.947 0.036 0.964 0.929 0.030
Validation set 5 0.979 0.959 0.051 0.892 0.797 0.290
Test set 5 0.959 0.920 0.254 0.901 0.813 0.740
  1. aAverage absolute deviation (AAD) for 3D7 model = 0.168
  2. bPercentage average absolute relative error (AARE%) for 3D7 model = 2.98%
  3. cAverage absolute deviation (AAD) for W2 model = 0.257
  4. dPercentage average absolute relative error (AARE%) for W2 model = 4.20%