Use Of Machine Learning For Intelligence Detection For Pharmaceutical Drug-Drug Interactions

Artificial neural networks (ANNs) have been developed to predict the clinical significance of drug-drug interactions (DDIs) for a set of 35 pharmaceutical drugs using data compiled from the Web-based resources, Lexi- comp and Vidal, with inputs furnished by various drug pharmacokinetic (PK) and/or pharmacodynamic (PD) properties, and/or drug-enzyme interaction data. Success in prediction of DDI significance was found to vary according to the drug properties used as ANN input, and also varied with the DDI dataset used in training. The Lexicomp® dataset is found to give predictions marginally better than those obtained using the Vidal® dataset, with the best prediction of minor DDIs achieved using a multi-layer perceptron (MLP) model trained using enzyme variables alone (F1 82%) and the best prediction of major DDIs achieved using a MLP model trained on PK/PD properties alone (F1 54%). Given a more comprehensive and more consistent dataset of DDI data, we conclude that machine learning tools could be used to acquire new knowledge on DDIs, and could thus facilitate the regulatory agencies, and pharmacovigilance of newly licensed drugs.