Computational prediction of blood-brain barrier (BBB) permeability has emerged as a vital alternative to traditional experimental assays, which are often resource-intensive and low-throughput to meet the demands of early-stage drug discovery. While early machine learning approaches have shown promise, integration of traditional chemical descriptors with deep learning embeddings… See the full description on the dataset page:
https://huggingface.co/datasets/SaeedLab/BBB.
