# Mixed-integer optimisation of graph neural networks for computer-aided molecular design

> Research article (Computers & Chemical Engineering, 2024) · cited 13× · AI/ML

**Wikidata**: [openalex:W4393075199](https://www.wikidata.org/wiki/openalex:W4393075199)  
**Source**: https://4ort.xyz/entity/mixed-integer-optimisation-of-graph-neural-networks-for-computer-aided-molecular-design