# CASTELO: clustered atom subtypes aided lead optimization—a combined machine learning and molecular modeling method

> Research article (BMC Bioinformatics, 2021) · cited 10× · AI/ML

**Wikidata**: [openalex:W3174684762](https://www.wikidata.org/wiki/openalex:W3174684762)  
**Source**: https://4ort.xyz/entity/castelo-clustered-atom-subtypes-aided-lead-optimizationa-combined-machine-learning-and-molecular-modeling-method