# Leveraging high-throughput molecular simulations and machine learning for the design of chemical mixtures

> Research article (npj Computational Materials, 2025) · cited 11× · AI/ML

**Wikidata**: [openalex:W4408503357](https://www.wikidata.org/wiki/openalex:W4408503357)  
**Source**: https://4ort.xyz/entity/leveraging-high-throughput-molecular-simulations-and-machine-learning-for-the-design-of-chemical-mixtures