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    0.8036
Standard Error of Estimation (Test set)    0.5645

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

 Number of  ID of          R2      dR2       SEE      Number of
 outliers   outlier                                   compounds
    0  :               : 0.8036:   0.0000:   0.5645:      101
    1  :            701: 0.8160:   0.0124:   0.5417:      100
    2  :            385: 0.8262:   0.0102:   0.5269:       99
    3  :            405: 0.8331:   0.0069:   0.5148:       98
    4  :            354: 0.8393:   0.0062:   0.5076:       97
    5  :            118: 0.8456:   0.0062:   0.5019:       96
