Research Article
Pharmacokinetic and Toxicological Evaluation of a Zinc Gluconate-Based Chemical Sterilant Using In Vitro and In Silico Approaches
Table 2
Comparison between pKCSM and LAZAR toxicity prediction of Infertile.
| | Model Name | pkCSM | LAZAR | | Unit | Prediction | Unit | Prediction |
| | AMES toxicity | Categorical (yes/no) | No | Categorical (yes/no) | No | | Hepatotoxicity | Categorical (yes/no) | No | n.a. | — | | Skin sensitisation | Categorical (yes/no) | No | n.a. | — | | hERG I inhibitor | Categorical (yes/no) | No | n.a. | — | | hERG II inhibitor | Categorical (yes/no) | No | n.a. | — | | Oral rat acute toxicity (LD50) | Numeric (mol/kg) | 0.29 | n.a. | — | | Oral rat chronic toxicity (LOAEL) | Numeric (mg/kg/day) | 22.49 | n.a. | — | | Carcinogenicity (rat) | n.a. | — | Categorical (Yes/No) | Yes | | Carcinogenicity (mouse) | n.a. | — | Categorical (Yes/No) | Yes | | Carcinogenicity (rodents) | n.a. | — | Categorical (Yes/No) | Yes | | Max. tolerated dose (human) | Numeric (mg/kg/day) | 16.11 | Numeric (mg/kg/day) | 7.93 | | T. pyriformis toxicity | Numeric (log ug/L) | 1.93 | n.a. | — | | Fathead minnow toxicity | Numeric (mol/L) | 1,164 | Numeric (mol/L) | 1,567 |
|
|
hERG: human Ether-à-go-go-Related Gene; LD50: lethal dose of 50%; LOAEL: lowest observed adverse effect level; n.a.: not analyzed.
|
