Connor W. Coley

Analyzing Learned Molecular Representations for Property Prediction

Advancements in neural machinery have led to a wide range of algorithmic solutions for molecular property prediction. Two classes of models in particular have yielded promising ...

Scientific discovery in the age of artificial intelligence

A robotic platform for flow synthesis of organic compounds informed by AI planning

Pairing prediction and robotic synthesis Progress in automated synthesis of organic compounds has been proceeding along parallel tracks. One goal is algorithmic prediction of vi...