A digital representation of a protein structure. [Image courtesy of NIH]
Big Pharma and researchers are sharpening their focus on AI to speed drug discovery. But the path to fully AI-driven drug discovery faces substantial hurdles, according to Adityo Prakash, CEO of Verseon. “When it comes to drug discovery, AI has a data problem with which the pharmaceutical industry has not yet come to terms,” he said.Prakash explained there is simply “not enough data” to rely on AI as the primary means of small molecule drug discovery. He discussed these challenges further in an article in American Pharmaceutical Review titled “Exploring New Chemical Space for the Treatments of Tomorrow.”
The limitations and challenges of AI-first methodsEven with high-throughput screening to automate the process of testing pre-synthesized drug candidates against disease-associated target proteins, the pharma…