Uncertainty estimation in deep learning-based property models: Graph neural networks applied to the critical properties期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Uncertainty estimation in deep learning-based property models: Graph neural networks applied to the critical properties

Authors:	Adem R N Aouichaoui Seyed Soheil Mansouri Jens Abildskov Gürkan Sin

Affiliation:	Department of Chemical and Biochemical Engineering, Technical University of Denmark, Lyngby, Denmark

Abstract:

Keywords:	deep learning graph neural networks molecular property prediction QSPR uncertainty analysis