Machine Learning for faster Drug Discovery

Artificial intelligence (AI) and machine-learning (ML) approaches are the present-day buzzwords finding applications in a host of domains affecting our lives. These approaches use known datasets to train and build models that can predict, or sometimes, make decisions about a task. In one such case, researchers at the Indian Institute of Technology Bombay (IIT Bombay), Mumbai, have in a recent study, developed ML approaches using molecular descriptors for certain types of catalysis that could find use in several therapeutic applications. Traditionally, drug discovery and formulation is an elaborate process. Biological molecules have different properties, the knowledge of which are crucial for binding drug molecules that target proteins.