Table 3Accuracy of the statistical models for human in vivo clearance prediction53

Description useda Statistical parameters
Statistic Modelr_hd_hh_hr_ad_aNo. of terms b r2q2
MLR50.840.74
MLR   20.840.79
PCR20.850.79
PLS20.860.77
PLS  10.830.79
PLS   10.830.79
NN_linear50.860.79
NN_sigmoidal  30.880.77
NN_sigmoidal   20.880.77
a

r_h = rat hepatocyte; d_h = dog hepatocyte; h_h = human hepatocyte; r_a = rat animal data; d_a = dog animal data

b

MLR = number of descriptors; PCR = number of principal components; PLS = no. of components; ANN = no. of descriptors

From: Prediction of Drug-Like Properties

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