Blood-brain barrier permeability prediction
Please cite! If you use Deep-B3 for research, please cite the following paper: Deep-B3. If you have any comments, corrections or questions please contact us.
Input molecular SMILES text
To use the classifier to predict
blood-brain barrier permeability for molecular, either:
Press the "Reset" button to clear the input and re-enter.
- paste your raw text SMILES format string into the text area, or
- upload a txt-formatted file with your SMILES text; or
- generated the SMILES using the JSME editor and copy it into the predict text area.
Press the "Submit" button to upload the SMILES and begin the classification.
Waiting a moment and your results will be presented in web page.
Draw a molecule using JMSE editor, then you can get the smiles of the molecule
Molecular SMILES generated by JMSE