AA MPNN Deep Learning model for blood-brain barrier permeability

Design a small molecule

You have to enable Java and JavaScritpt on your machine !

Enter SMILES seperated by newline

Upload an SDF file (.sdf)

Model Description

*This work project has received funding from

European Union Horizon 2020 Programme (H2020) through EthnoHERBS and CAPSTONE projects, under grant agreements No. 823973 and No. 954992, respectively

Powered by Enalos Cloud Platform