Background

The human plasma protein binding rate (PPBR) is expressed as the percentage of a drug bound to plasma proteins in the blood. This rate strongly affect a drug's efficiency of delivery. The less bound a drug is, the more efficiently it can traverse and diffuse to the site of actions. From a ChEMBL assay deposited by AstraZeneca.

Description of readout

Task Description: Regression. Given a drug SMILES string, predict the rate of PPBR.

Data resource

Reference: [1] Experimental in vitro Dmpk and physicochemical data on a set of publicly disclosed compounds