Machine learning and AI based methods are rapidly shaping the future technologies. Computer aided drug design is no exception. This review articles summarizes the applications of various machine learning methods in predicting ligand:protein interactions.
We, at Binary Star Research Services, are involved in developing and testing machine learning based methods for predicting the activating ligands for specific GPCRs. We welcome any collaborations from Pharma industry for harnessing these rapidly evolving technologies in context of drug design.