# A unified knowledge graph linking foodomics to chemical-disease networks and flavor profiles

**Authors:** Fangzhou Li, Jason Youn, Kaichi Xie, Trevor Chan, Pranav Gupta, Arielle Yoo, Michael Gunning, Keer Ni, Ilias Tagkopoulos

PMC · DOI: 10.1038/s41538-025-00680-9 · NPJ Science of Food · 2026-01-20

## TL;DR

FoodAtlas is a knowledge graph linking foods to chemicals, diseases, and flavors, enabling insights into diet's impact on health.

## Contribution

FoodAtlas introduces a unified, machine-readable knowledge graph integrating foodomics, chemical-disease networks, and flavor data.

## Key findings

- FoodAtlas links 1430 foods to 3610 chemicals, 2181 diseases, and 958 flavor descriptors via 96,981 edges.
- Graph embeddings identified six dietary modules with distinct disease-risk trajectories.
- A substitution engine using FoodAtlas reduced simulated disease risk by 11.9%.

## Abstract

Modern nutrition science still lacks a comprehensive, machine-readable map linking diet to molecular composition and biological effects. Here we present FoodAtlas, a large-scale knowledge graph that links 1430 foods to 3610 chemicals, 2181 diseases, and 958 flavor descriptors through 96,981 provenance-tracked edges. A transformer-based text-mining pipeline extracted 48,474 quantitative food–chemical associations from 125,723 literature sentences (F1 = 0.67) and integrated them with 23,211 chemical–disease assertions from the Comparative Toxicogenomics Database, 15,222 chemical-bioactivity records from ChEMBL, 3645 flavor annotations from FlavorDB and PubChem, and 6429 taxonomic relationships. Graph embeddings revealed six dietary modules whose signature metabolites delineate distinct, multisystem disease-risk trajectories. Models built on FoodAtlas demonstrate practical utility: a bioactivity predictor achieved strong correlation with antioxidant assays (R² = 0.52; ρ = 0.72), and a substitution engine reduced simulated total disease risk by 11.9%.

## Full-text entities

- **Diseases:** Inflammatory (MESH:D007249), heart disease (MESH:D006331), stomatognathic disease (MESH:D009057), CML (MESH:D015464), diabetes (MESH:D003920), phototoxicity (MESH:D017484), CTD's disease (MESH:D004194), cardiovascular (MESH:D002318), advanced glycation end-products (MESH:D003643), cancer (MESH:D009369), fatigue (MESH:D005221), OMIM (MESH:D030342), FA (MESH:C565561), obesity (MESH:D009765)
- **Chemicals:** flavonoids (MESH:D005419), trans-fatty acids (MESH:D044242), DHA (MESH:C027493), tri-acyl-glycerols (MESH:D014280), limonene (MESH:D000077222), FA (MESH:D005492), palmitic acid (MESH:D019308), glycans (MESH:D011134), PhIP (MESH:C049584), quercetin (MESH:D011794), phenols (MESH:D010636), BPM (-), kaempferol (MESH:C006552), fructose (MESH:D005632), cyanidin (MESH:C017154), linoleic acid (MESH:D019787), polyphenol (MESH:D059808), omega-3 fatty acids (MESH:D015525), Fe (MESH:D007501), anthocyanin (MESH:D000872), lipids (MESH:D008055), Ca (MESH:D002118), glucosinolates (MESH:D005961), MeIQx (MESH:C036990), rice-bran oils (MESH:D000073879), glucose (MESH:D005947)
- **Species:** Spinacia oleracea (spinach, species) [taxon 3562], Homo sapiens (human, species) [taxon 9606], Mentha aquatica (water mint, species) [taxon 190902], Apium graveolens Dulce Group (celery, no rank) [taxon 117781], Citrus x aurantiifolia (lime, species) [taxon 159033], Ipomoea batatas (batate, species) [taxon 4120], Brassica rapa subsp. pekinensis (bai cai, subspecies) [taxon 51351], Cicer arietinum (chickpea, species) [taxon 3827], Helianthus annuus (common sunflower, species) [taxon 4232], Olea europaea (common olive, species) [taxon 4146], Pseudomyrmex ita (species) [taxon 292163], Solanum lycopersicum (tomato, species) [taxon 4081], Malus domestica (apple, species) [taxon 3750]

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## Figures

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## References

16 references — full list in the complete paper: https://tomesphere.com/paper/PMC12868623/full.md

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Source: https://tomesphere.com/paper/PMC12868623