# Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors

> Research article (Chemical Science, 2020) · cited 153× · AI/ML

**Wikidata**: [openalex:W3114339437](https://www.wikidata.org/wiki/openalex:W3114339437)  
**Source**: https://4ort.xyz/entity/regio-selectivity-prediction-with-a-machine-learned-reaction-representation-and-on-the-fly-quantum-mechanical-descriptor