# Machine learning and semi-empirical calculations: a synergistic approach to rapid, accurate, and mechanism-based reaction barrier prediction

> Research article (Chemical Science, 2022) · cited 43× · AI/ML

**Wikidata**: [openalex:W4285291119](https://www.wikidata.org/wiki/openalex:W4285291119)  
**Source**: https://4ort.xyz/entity/machine-learning-and-semi-empirical-calculations-a-synergistic-approach-to-rapid-accurate-and-mechanism-based-reaction-b