Machine Learning Models for Predicting P-gp and BCRP Mediated Efflux

11:35 - 12:10

The Design of therapeutic agents that penetrate the blood-brain barrier is challenging mainly due to the promiscuity of efflux transporters. The structures of P-gp and BCRP have been published allowing us to build machine learning models that combine the transporter structural information with traditional ligand-based descriptors. The performance of these models will be presented.

Istvan Enyedy, Principal Scientist, Biogen