Data from #TrainingSet.txt
Representation of molecular structure by 
* SMILES

Correlation coefficients for the Active TRAINING SET
 Threshold:Probe  1: Average  :Dispersion
         1:  0.3207:    0.3207:    0.0000

The preferable number of epochs of the Monte Carlo optimization for the active TRAINING SET
 Threshold:Probe  1: Average  :Dispersion
         1:       8:      8.00:      0.00

Correlation coefficients for the passive Training SET
 Threshold:Probe  1: Average  :Dispersion
         1:  0.6857:    0.6857:    0.0000

The preferable number of epochs of the Monte Carlo optimization for the passive training SET
 Threshold:Probe  1: Average  :Dispersion
         1:       3:      3.00:      0.00


Preferable threshold T*=1  Preferable average number of epochs   N*=  3.0   Average R2 for calibration set =   0.6857

Root-mean-square error for the active TRAINING SET
 Threshold:Probe  1: Average  :Dispersion
         1:  1.5206:    1.5206:    0.0000

The preferable number of epochs of the Monte Carlo optimization for the active TRAINING SET
 Threshold:Probe  1: Average  :Dispersion
         1:       8:      8.00:      0.00

Root-mean-square error for the passive training SET
 Threshold:Probe  1: Average  :Dispersion
         1:  0.5337:    0.5337:    0.0000

The preferable number of epochs of the Monte Carlo optimization for the passive training SET
 Threshold:Probe  1: Average  :Dispersion
         1:       3:      3.00:      0.00

Preferable threshold T*=1  Preferable average number of epochs   N*=  3.0   Average RMSE for calibration set =   0.5337

IMPORTANT:
Ideal result if the preferable threshold is the same for correlation
coefficient of the calibration set and for root-mean-square error of the calibration set.
If they are different, the threshold that gives the best correlation coefficient
should be choice.
