Table 4.
Summary of the number of chemicals from the Tox21 Library that were true positive predictions of chemicals in FUse, functional substitute predictions, and candidate alternatives for that functional use
| Harmonized function | True positive predictions of FUse | Functional substitutes | Candidate alternatives |
|---|---|---|---|
| Additive | 11 | 37 | 27 |
| Adhesion promoter | 4 | 37 | 35 |
| Antimicrobial | 78 | 175 | 145 |
| Antioxidant | 33 | 60 | 40 |
| Antistatic agent | 6 | 8 | 5 |
| Buffer | 15 | 79 | 63 |
| Catalyst | 44 | 12 | 6 |
| Chelator | 5 | 14 | 13 |
| Colorant | 124 | 230 | 194 |
| Crosslinker | 61 | 33 | 28 |
| Emollient | 13 | 27 | 19 |
| Emulsifier | 3 | 10 | 5 |
| Emulsion stabilizer | 8 | 48 | 24 |
| Film forming agent | 23 | 18 | 14 |
| Flame retardant | 35 | 126 | 77 |
| Flavorant | 57 | 239 | 180 |
| Foam boosting agent | 3 | 0 | 0 |
| Foamer | 1 | 35 | 26 |
| Fragrance | 513 | 93 | 80 |
| Hair conditioner | 28 | 50 | 33 |
| Hair dye | 18 | 196 | 154 |
| Heat stabilizer | 1 | 11 | 6 |
| Humectant | 2 | 52 | 30 |
| Lubricating agent | 1 | 24 | 9 |
| Monomer | 46 | 30 | 27 |
| Organic pigment | 3 | 11 | 6 |
| Oxidizer | 4 | 6 | 4 |
| Photoinitiator | 6 | 16 | 12 |
| Plasticizer | 16 | 19 | 18 |
| Preservative | 13 | 95 | 86 |
| Reducer | 8 | 5 | 4 |
| Rheology modifier | 2 | 46 | 43 |
| Rubber additive | 3 | 17 | 16 |
| Skin conditioner | 54 | 143 | 123 |
| Skin protectant | 8 | 27 | 20 |
| Soluble dye | 2 | 4 | 2 |
| Surfactant | 35 | 44 | 24 |
| UV absorber | 30 | 89 | 47 |
| Vinyl | 8 | 0 | 0 |
| Wetting agent | 1 | 27 | 24 |
| Whitener | 0 | 5 | 5 |