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 ( , MAX = 13.64, ). No multicollinearity between independent variables was observed in the training set.

6-2-1 neural network MAX = 13.64RMSE = 5.53
Model versus clinical MRTD Learning rate = 0.700
Independent variablesCorrelation coefficients

AlogP−0.2210.049
ASol0.4760.226
logBioHL−0.0710.005
MW−0.1160.013
OxidHL0.4480.201
P[BD]0.4270.182

ANOVAF-ratio = 1340.73