Search

Categories

Organic Chemistry

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Last 3 years

(2)

Keywords

Explainable Artificial Intelligence

Authors

2 results in Keywords: Explainable Artificial Intelligence

Theoretical and Computational Chemistry

Ground truth explanation dataset for chemical property prediction on molecular graphs

Eugen Hruska, Liang Zhao, Fang Liu

Version 2 posted 14 December 2022

774

Downloads

Theoretical and Computational Chemistry

Global interpretability and geometry of graph convolu- tional neural networks for chemistry in terms of chemical moieties

Amer El-Samman, Incé Husain, Mai Huynh, Stefano De Castro, Brooke Morton, Guillaume Acke, Stijn De Baerdemacker

Version 1 posted 05 September 2023

183

Downloads