To synthesize high-performance materials for organic photovoltaics (OPVs) that convert solar radiation into direct current, materials scientists must meaningfully establish the relationship between chemical structures and their photovoltaic properties. In a new study on Science Advances, Wenbo Sun and a team including researchers from the School of Energy and Power Engineering, School of Automation, Computer Science, Electrical Engineering and Green and Intelligent Technology, established a new database of more than 1,700 donor materials using existing literature reports. They used supervised learning with machine learning models to build structure-property relationships and fast screen OPV materials using a variety of inputs for different ML algorithms.