# How Well Can We Predict Mass Spectra from Structures? Benchmarking Competitive Fragmentation Modeling for Metabolite Identification on Untrained Tandem Mass Spectra

> Research article (Journal of Chemical Information and Modeling, 2022) · cited 17× · AI/ML

**Wikidata**: [openalex:W4293835224](https://www.wikidata.org/wiki/openalex:W4293835224)  
**Source**: https://4ort.xyz/entity/how-well-can-we-predict-mass-spectra-from-structures-benchmarking-competitive-fragmentation-modeling-for-metabolite-iden