Improving the performance of models for one-step retrosynthesis through re-ranking

by Lin, Min H., Tu, Zhengkai, Coley, Connor W.
Published 2022

Machine learning modeling of family wide enzyme-substrate specificity screens

by Goldman, Samuel, Das, Ria, Yang, Kevin K, Coley, Connor W
Published 2022

Evidential Deep Learning for Guided Molecular Property Prediction and Discovery

by Soleimany, Ava P, Amini, Alexander, Goldman, Samuel, Rus, Daniela, Bhatia, Sangeeta N, Coley, Connor W
Published 2022

Prediction of Organic Reaction Outcomes Using Machine Learning

by Coley, Connor W., Barzilay, Regina, Jaakkola, Tommi S., Green, William H., Jensen, Klavs F., Coley, Connor Wilson, Jaakkola, Tommi S., Green, William H., Jensen, Klavs F.
Published 2017