graphB3 is a Graph Convolutional Network (GCN)-based tool for predicting Blood-Brain Barrier (BBB) permeability of drug candidates using atomic-level features. It offers high accuracy and Explainable AI (XAI) insights to identify key molecular substructures influencing BBB penetration.

The tool can be accessed from the given link graphB3

For further details visit https://github.com/dhanjal-lab/graphB3