# Quantum chemistry-augmented neural networks for reactivity prediction: Performance, generalizability, and explainability

> Research article (The Journal of Chemical Physics, 2022) · cited 97× · AI/ML

**Wikidata**: [openalex:W4213233019](https://www.wikidata.org/wiki/openalex:W4213233019)  
**Source**: https://4ort.xyz/entity/quantum-chemistry-augmented-neural-networks-for-reactivity-prediction-performance-generalizability-and-explainability