Details

Background

When a drug is orally administered, it needs to be absorbed from the human gastrointestinal system into the bloodstream of the human body. This ability of absorption is called human intestinal absorption (HIA) and it is crucial for a drug to be delivered to the target.

Description of readout

Task Description: Binary classification. Given a drug SMILES string, predict the activity of HIA.

Data resource

Reference: Hou T et al. ADME evaluation in drug discovery. 7. Prediction of oral absorption by correlation and classification. J Chem Inf Model. 2007;47(1):208-218.