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This Web service is based on a script generated automatically by Tree2C program and performs the classification of molecules between permeant and not permeant of blood-brain barrier (BBB) through a decision tree.
Since the training set used in the learning phase to build the model includes molecules in neutral form, also the molecule for which you want to predict the BBB permeation must be in this form.

To start the prediction, select the molecule in the following fields and press the Predict button.

 
Molecule name:    Help
                                    
or enter your molecule in text format: Help
     
  
BBB permeant:  
Violations:  
 
 

This service was successfully tested with Google Chrome (52), Microsoft Edge (38), Microsoft Internet Explorer (11).

 

About the service

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