# Selecting molecules with diverse structures and properties by maximizing submodular functions of descriptors learned with graph neural networks

> Research article (Scientific Reports, 2022) · cited 17× · AI/ML

**Wikidata**: [openalex:W4206938161](https://www.wikidata.org/wiki/openalex:W4206938161)  
**Source**: https://4ort.xyz/entity/selecting-molecules-with-diverse-structures-and-properties-by-maximizing-submodular-functions-of-descriptors-learned-wit