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Table 4 Anticancer likeness of food molecules was computed using the best-performing neural model

From: Predicting anticancer hyperfoods with graph convolutional networks

ID

Name

Description

FDB001084

Pancreatin

Digestive enzyme. Used in replacement therapy. Used to prepare protein hydrolysates for pre- and post-operative diets.

FDB006967

Anthracene

Organic compounds containing a system of three linearly fused benzene rings. Anthracene can be found in sorrel. Anthracene is formally rated as an unfounded non-carcinogenic (IARC 3) potentially toxic compound.

FDB008856

2,2’-Bis(4-hydroxyphenyl) propane

Potential food contaminant arising from its use in reusable polycarbonate food containers such as water carboys, baby bottles and kitchen utensils.

FDB011663

Coumestrol

Coumestrol is a natural organic compound in the class of phytochemicals known as coumestans. It has garnered research interest because of its estrogenic activity and its prevalence in some foods, such as soybeans and herbs such as Pueraria mirifica. Coumestrol is a phytoestrogen, mimicking the biological activity of estrogens.

FDB011828

Genistein

Genistein is a phenolic compound belonging to the isoflavonoid group. Isoflavonoids are found mainly in soybean. Genistein and daidzein (an other isoflavonoid) represent the major phytochemicals found in this plant.

FDB012375

Pterostilbene

Pterostilbene is a member of the class of compounds known as stilbenes. Pterostilbene can be found in common grape and grape wine. Pterostilbene is a stilbenoid chemically related to resveratrol.

FDB012974

Mercenene

Found in the common clam Mercenaria mercenaria and Mercenaria campechiensis

FDB014654

Myristicin

Natural organic compound present in the essential oil of nutmeg and to a lesser extent in other spices such as parsley and dill.

FDB016593

2,5-Dihydro-4,5-dimethyl-2-(1-methylpropyl) thiazole

Flavoring ingredient. Reported in hydrolyzed vegetable protein.

FDB020870

1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine

Food-related mutagen, reported to be the most abundant heterocyclic amine found in cooked meat and fish.

FDB022056

5a-Androstane-3a,17a-diol

Steroid compound.

FDB022182

Isourso-deoxycholic acid

Bile acid.

FDB022318

11alpha-Hydroxy-progesterone

Steroid hormone involved in the female menstrual cycle, pregnancy (supports gestation) and embryogenesis of humans and other species.

FDB023086

Dihydro-testosterone

Potent androgenic metabolite of testosterone.

FDB023772

Testosterone enanthate

Testosterone enanthate is used in androgen substitution.

FDB024072

5b-Dihydro-testosterone

Intermediate in androgen and estrogen metabolism.

FDB028898

Methyl-arsonite

Found in the arsenate detoxification I pathway.

FDB030068

Platinum

Member of the class of compounds known as homogeneous transition metal compounds. Platinum can be found in a number of food items such as white cabbage, sunburst squash (pattypan squash), potato, and broccoli.

FDB030278

17- α-hydroxy-pregnenolone

It belongs to gluco/mineralocorticoids, progestogins, and derivatives class of compounds.

FDB030678

Androst-4-en-3,17-dione

It belongs to androgens and derivatives class of compounds.

  1. 20 molecules were predicted as additional anticancer molecules to those reported in [12]. Extended description and additional information for each molecule can be found in Additional file 2