# Explaining compound activity predictions with a substructure-aware loss for graph neural networks

> Research article (Journal of Cheminformatics, 2023) · cited 16× · AI/ML

**Wikidata**: [openalex:W4385231489](https://www.wikidata.org/wiki/openalex:W4385231489)  
**Source**: https://4ort.xyz/entity/explaining-compound-activity-predictions-with-a-substructure-aware-loss-for-graph-neural-networks