Table 4.
Summary of toxicity predictions for AfroCancer and NPACT datasets
| Endpoints | CERTAIN
|
PROBABLE
|
PLAUSIBLE
|
EQUIVOCAL
|
DOUBTED
|
|||||
|---|---|---|---|---|---|---|---|---|---|---|
| AfroCancer | NPACT | AfroCancer | NPACT | AfroCancer | NPACT | AfroCancer | NPACT | AfroCancer | NPACT | |
| Carcinogenicity | – | – | – | 1 | 17 | 107 | 71 | 134 | – | – |
| Cardiotoxicity | – | – | – | – | – | 1 | – | – | – | – |
| Cholinesterase inhibition | – | – | – | – | – | 1 | – | – | – | – |
| Chromosome damage in vitro | 2 | – | 4 | 16 | 113 | 503 | 9 | 132 | – | – |
| Chromosome damage in vivo | – | – | – | 6 | 6 | 11 | 1 | 18 | – | – |
| Cyanide-type effects | – | – | – | – | – | 1 | – | – | – | – |
| Developmental toxicity | – | – | – | – | 15 | 76 | – | – | – | – |
| Genotoxicity in vitro | – | – | – | – | 17 | 72 | – | – | – | – |
| Hepatotoxicity | – | 1 | – | 2 | 58 | 173 | – | – | – | – |
| hERG channel inhibition in vitro | – | – | – | – | 25 | 132 | – | – | – | – |
| Irritation (of the eye) | – | – | – | – | 17 | 133 | – | – | – | – |
| Irritation (of the gastrointestinal tract) | – | – | – | – | – | 27 | – | – | – | – |
| Irritation (of the respiratory tract) | – | – | – | – | 1 | 6 | – | – | – | – |
| Irritation (of the skin) | – | – | – | – | 17 | 133 | – | – | – | – |
| Mutagenicity in vitro | – | – | – | – | 18 | 70 | – | – | – | – |
| Neurotoxicity | – | – | – | – | – | 2 | – | – | – | – |
| Ocular toxicity | – | 2 | – | – | – | – | – | – | – | – |
| Estrogenicity | – | – | – | – | – | 9 | – | – | – | – |
| Phospholipidosis | – | – | – | – | – | 2 | – | – | – | – |
| Photoallergenicity | – | – | – | – | 40 | 77 | – | – | – | 2 |
| Photocarcinogenicity | – | – | – | 1 | 5 | 2 | – | – | – | – |
| Phototoxicity | – | – | – | – | – | 1 | 12 | 28 | – | – |
| Rapid prototypes: bladder disorders | – | – | – | – | – | – | 1 | 4 | – | – |
| Rapid prototypes: cardiotoxicity | – | – | – | – | – | – | – | 1 | – | – |
| Rapid prototypes: chromosome damage in vitro | – | – | – | – | – | – | – | 9 | – | – |
| Rapid prototypes: hepatotoxicity | – | – | – | – | – | – | 5 | 18 | – | 558 |
| Rapid prototypes: mitochondrial dysfunction | – | – | – | – | – | – | 25 | 56 | – | – |
| Rapid prototypes: nephrotoxicity | – | – | – | – | – | – | 131 | 546 | – | – |
| Rapid prototypes: thyroid toxicity | – | – | – | – | – | – | – | 6 | – | – |
| Skin sensitization | – | 6 | – | 3 | 564 | 1,568 | 64 | 190 | – | 208 |
| Teratogenicity | – | – | – | 2 | 5 | 13 | – | – | – | – |
| Thyroid toxicity | – | – | – | – | 8 | 52 | – | – | – | – |
| Total | 2 | 9 | 4 | 31 | 926 | 3,172 | 319 | 1,142 | 0 | 768 |
Abbreviation: NPACT, Naturally Occurring Plant-based Anticancer Compound-Activity-Target.