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

Correlation coefficients for the Active TRAINING SET
 Threshold:Probe  1: Average  :Dispersion
         5:  0.4395:    0.4395:    0.0000

The preferable number of epochs of the Monte Carlo optimization for the active TRAINING SET
 Threshold:Probe  1: Average  :Dispersion
         5:       8:      8.00:      0.00

Correlation coefficients for the passive Training SET
 Threshold:Probe  1: Average  :Dispersion
         5:  0.6977:    0.6977:    0.0000

The preferable number of epochs of the Monte Carlo optimization for the passive training SET
 Threshold:Probe  1: Average  :Dispersion
         5:       6:      6.00:      0.00


Preferable threshold T*=5  Preferable average number of epochs   N*=  6.0   Average R2 for calibration set =   0.6977

Root-mean-square error for the active TRAINING SET
 Threshold:Probe  1: Average  :Dispersion
         5:  1.2205:    1.2205:    0.0000

The preferable number of epochs of the Monte Carlo optimization for the active TRAINING SET
 Threshold:Probe  1: Average  :Dispersion
         5:       8:      8.00:      0.00

Root-mean-square error for the passive training SET
 Threshold:Probe  1: Average  :Dispersion
         5:  0.5993:    0.5993:    0.0000

The preferable number of epochs of the Monte Carlo optimization for the passive training SET
 Threshold:Probe  1: Average  :Dispersion
         5:       2:      2.00:      0.00

Preferable threshold T*=5  Preferable average number of epochs   N*=  2.0   Average RMSE for calibration set =   0.5993

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.
