The idealization i.e. removing of outliers
Method is taken in Method.txt
Data from #TrainingSet.txt
Molecular representation is  SMILES
Correlation coefficient (test set) with all outliers    0.7924
Standard Error of Estimation (Test set)    0.5956

Status of test set after the removing of "worst" outliers:

 Number of  ID of          R2      dR2       SEE      Number of
 outliers   outlier                                   compounds
    0  :               : 0.7924:   0.0000:   0.5956:      101
    1  :            701: 0.8042:   0.0118:   0.5761:      100
    2  :            385: 0.8136:   0.0094:   0.5643:       99
    3  :             92: 0.8218:   0.0082:   0.5520:       98
    4  :            405: 0.8288:   0.0070:   0.5389:       97
    5  :            118: 0.8351:   0.0063:   0.5328:       96
