Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Global interpretability and geometry of graph convolu- tional neural networks for chemistry in terms of chemical moieties
, Authors:
Amer El-Samman, Incé Husain, Mai Huynh, Stefano De Castro, Brooke Morton, Guillaume Acke, Stijn De Baerdemacker
Version 1 posted 05 September 2023
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