B3PP

B3PP

B3PP (Blood Brain Barrier Penetration Prediction) is a web application that interfaces a machine learning model designed to predict the Blood-Brain Barrier penetration properties for any organic molecule.

Compounds can be entered with their common name (in english), or a valid SMILES string or InChI identifier. The output is constituted by the model result, some other common names for the submitted molecule, when available, and a graphical representation of the molecule generated by the Chemical Identifier Resolver. Also provided, for completeness, are the a priori probabilities of crossing the Blood-Brain Barrier according to the molecular weight.

This model is valid only for molecules with a molecular weight lower than 600 Da.