"Revolutionary AI System Predicts Molecular Properties with Minimal Data"
Researchers from MIT and the MIT-Watson AI Lab have developed a unified framework that uses machine learning to predict molecular properties and generate new molecules using only a small amount of data for training. Their system has an underlying understanding of the rules that dictate how building blocks combine to produce valid molecules, allowing it to generate new molecules and predict their properties in a data-efficient manner. The method outperformed other machine-learning approaches on both small and large datasets, accurately predicting molecular properties and generating viable molecules with fewer than 100 samples.