Recent research published by the University of Warwick (2017), describes a new algorithm that can predict the interactions between a protein and a drug molecule based on a limited number of actual experiments (AI and drug development). The algorithm can predict with a 99% accuracy if a drug molecule will bind to a target protein.
The application of this algorithm to drug discovery could significantly reduce screening time thus accelerating drug discovery. Additionally, this tool could be applied to both materials and molecules. As described in the article, this research illustrates how pharmaceutical/ biopharmaceutial research and development may benefit from the adoption of machine learning and artificial intelligence (AI) to speed drug discovery.
University of Warwick. (2017). Drug discovery could accelerate hugely with machine learning. ScienceDaily. Retrieved December 20, 2017 from www.sciencedaily.com/releases/2017/12/171214144442.ht