Department of Computer Science, University of Illinois Urbana-Champaign, Urbana, IL 61801; Department of Computer Science, Carle Illinois College of Medicine, University of Illinois Urbana-Champaign, Urbana, IL 61801
Siddhartha Laghuvarapu, Zhen Lin, Jimeng Sun
drug discovery;molecule property prediction;conformal prediction
CoDrug: Conformal Drug Property Prediction with Density Estimation under Covariate Shift