Attentive graph neural network models for the prediction of blood-brain barrier permeability
Jesse W. Collins, Mahmoud Ebrahimkhani, Daniel Ramirez, Jonathan Deiloff, Mauro Gonzalez, Mostafa Abedi, Laurence Philippe-Venec, Bridget M. Cole, Brandon Moore, Jennifer O. Nwankwo
This study benchmarks machine learning models for predicting blood-brain barrier permeability, showing attentive graph neural networks outperform traditional methods.
bioRxiv · Oct 12, 2024 · PreprintPharmacology & Toxicology