# The METLIN small molecule dataset for machine learning-based retention time prediction

> Research article (Nature Communications, 2019) · cited 230× · AI/ML

**Wikidata**: [openalex:W2996714860](https://www.wikidata.org/wiki/openalex:W2996714860)  
**Source**: https://4ort.xyz/entity/the-metlin-small-molecule-dataset-for-machine-learning-based-retention-time-prediction