Algorithm tracks down buried treasure among existing compounds
Tool tested by picking photoactive molecules out of a pharma database
A machine-learning algorithm has been developed by scientists in Japan to breathe new life into old molecules. Called BoundLess Objective-free eXploration, or Blox, it allows researchers to search chemical databases for molecules with the right properties to see them repurposed. The team demonstrated the power of their technique by finding molecules that could work in solar cells from a database designed for drug discovery.