A combinatorial computational approach for drug discovery against AIDS: Machine learning and proteochemometrics

Computational methods have been widely used in drug discovery including identification of novel targets, studying drug target interactions, and in virtual screening of compounds against known targets. Machine learning techniques have been used in predictions of novel targets and drugs with greater accuracy compared to other methods. Machine learning algorithms have also been widely used in predicting the progression of disease, resistance of a drug to a virus, treatment efficacy prediction, and also in predicting the effectiveness of combinational therapy with respect to HIV-1. In this article, we have focused on some of the machine learning techniques in the context of viral disease. In brief, machine learning methods have great potential in drug discovery, drug repurposing, and in precision medicine.