Three Keys to Implementing Artificial Intelligence in Drug Discovery

Despite the buzz around artificial intelligence (AI), most industry insiders know that the use of machine learning (ML) in drug discovery is nothing new. For more than a decade, researchers have used computational techniques for many purposes, such as finding hits, modeling drug-protein interactions, and predicting reaction rates. What is new is the hype. As AI has taken off in other industries, countless start-ups have emerged promising to transform drug discovery and design with AI-based technologies for things such as virtual screening, physics-based biological activity assessment, and drug crystal-structure prediction. Investors have made huge bets that these start-ups will succeed.