# Boosting Graph Neural Networks with Molecular Mechanics: A Case Study of Sigma Profile Prediction

> Research article (Journal of Chemical Theory and Computation, 2023) · cited 17× · AI/ML

**Wikidata**: [openalex:W4389480206](https://www.wikidata.org/wiki/openalex:W4389480206)  
**Source**: https://4ort.xyz/entity/boosting-graph-neural-networks-with-molecular-mechanics-a-case-study-of-sigma-profile-prediction