Conformal Drug Property Prediction with Density Estimation under
Covariate Shift

Conformal Drug Property Prediction with Density Estimation under Covariate Shift

18 October 2023

Siddhartha Laghuvarapu

Jimeng Sun

Papers citing "Conformal Drug Property Prediction with Density Estimation under Covariate Shift"

4 / 4 papers shown

Title
Confidence on the Focal: Conformal Prediction with Selection-Conditional Coverage Ying Jin Zhimei Ren 30 7 0 06 Mar 2024
DrugOOD: Out-of-Distribution (OOD) Dataset Curator and Benchmark for AI-aided Drug Discovery -- A Focus on Affinity Prediction Problems with Noise Annotations Yuanfeng Ji Lu Zhang Jiaxiang Wu Bing Wu Long-Kai Huang ... Ping Luo Shuigeng Zhou Junzhou Huang Peilin Zhao Yatao Bian OOD 58 73 0 24 Jan 2022
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 184 884 0 07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 219 1,329 0 12 Feb 2018