Evidential Deep Learning for Guided Molecular Property Prediction and Discovery

• Ava P. Soleimany,
• Alexander Amini,
• Samuel Goldman,
• Daniela Rus,
• Sangeeta N. Bhatia,
• Connor W. Coley

Affiliations

Ava P. Soleimany

Harvard-MIT Division of Health Sciences and Technology, MIT, Cambridge, Massachusetts, United States

Alexander Amini

Department of Electrical Engineering and Computer Science, MIT, Cambridge, Massachusetts, United States

Samuel Goldman

Computational and Systems Biology, MIT, Cambridge, Massachusetts, United States

Daniela Rus

Department of Electrical Engineering and Computer Science, MIT, Cambridge, Massachusetts, United States

Sangeeta N. Bhatia

Harvard-MIT Division of Health Sciences and Technology, MIT, Cambridge, Massachusetts, United States

Connor W. Coley

Department of Chemical Engineering, MIT, Cambridge, Massachusetts, United States