Uncertainty Quantification Using Neural Networks for Molecular Property Prediction

Document Details

Document Type
Pub Defense Publication
Publication Date
Jul 23, 2020
Source ID
10.1021/acs.jcim.0c00502

Entities

People

  • Connor W. Coley
  • Kevin Yang
  • Kyle Swanson
  • Lior Hirschfeld
  • Regina Barzilay

Organizations

  • Massachusetts Institute of Technology
  • United States Department of Defense
  • University of California, Berkeley
  • University of Cambridge

Tags

Technology Areas

  • AI & ML
  • AI & ML - Bayesian Inference
  • AI & ML - Neural Networks