3DGT-DDI: 3D graph and text based neural network for drug-drug interaction prediction.
Journal:
Briefings in bioinformatics
Published Date:
May 13, 2022
Abstract
MOTIVATION: Drug-drug interactions (DDIs) occur during the combination of drugs. Identifying potential DDI helps us to study the mechanism behind the combination medication or adverse reactions so as to avoid the side effects. Although many artificial intelligence methods predict and mine potential DDI, they ignore the 3D structure information of drug molecules and do not fully consider the contribution of molecular substructure in DDI.