

This file contains an example of calculations of DCW and endpoint
for SMILES that is inserted in dialog box
NC#N 
Selected threshold is 3

SMILES attribute (SA) : Correlation Weight :   SA defect
          N...........:              0.9532:     0.00000
          C...........:             -0.0412:     0.00000
          #...........:              0.2896:     0.00001
          N...........:              0.9532:     0.00000
           ...........:                 0.0:     0.00000
          N...C.......:              0.9275:     0.00000
          C...#.......:              0.0088:     0.00002
          N...#.......:              0.6083:     0.00002
          N... .......:                 0.0:     0.00000
-----            SMILES defect          ----     0.00005

2 * Average SMILESdefect =     0.01041

This SMILES falls into Domain of applicability

DCW=      3.6993  Prediction for EndPoint=      7.9362
