Predictive Models for Maximum Recommended Therapeutic Dose of Antiretroviral Drugs

Table 3

The results of the neural network analysis for antiretroviral drugs versus MRTDs. All molecular descriptors show weak correlation with MRTD except for ASol, OxidHL, and P[BD]. The 6-2-1 neural network model predicted training set MRTD values with high accuracy (𝑅²=0.992, MAX = 13.64, 𝑃<0.001). No multicollinearity between independent variables was observed in the training set.

6-2-1 neural network	𝑛=23	𝑅^2=0.992	MAX = 13.64	RMSE = 5.53
Model versus clinical MRTD	𝑃<0.001		Learning rate = 0.700
Independent variables	Correlation coefficients		𝑅^2
AlogP	−0.221		0.049
ASol	0.476		0.226
logBioHL	−0.071		0.005
MW	−0.116		0.013
OxidHL	0.448		0.201
P[BD]	0.427		0.182
ANOVA	F-ratio = 1340.73		𝑃<0.001