# MD-GNN: A mechanism-data-driven graph neural network for molecular properties prediction and new material discovery

> Research article (Journal of Molecular Graphics and Modelling, 2023) · cited 46× · AI/ML

**Wikidata**: [openalex:W4375946946](https://www.wikidata.org/wiki/openalex:W4375946946)  
**Source**: https://4ort.xyz/entity/md-gnn-a-mechanism-data-driven-graph-neural-network-for-molecular-properties-prediction-and-new-material-discovery