Prediction of acute oral toxicity using the Hansen solubility parameter

Acute oral toxicity is primarily determined using animal testing, as stated in the Organization for Economic Cooperation and Development (OECD) Test Guideline (TG) 420, 423, and 425. Currently, regarding animal welfare, few alternatives to animal testing such as in vitro approaches have been evaluated. Therefore, in this preliminary study examining a new method to determine acute oral toxicity, we investigated whether UN Globally Harmonized System all categories can be predicted using the Hansen solubility parameter (HSP). In particular, Hansen spheres were produced based on oral toxicity information of the test substances and their HSP values, and the respective parameters were identified. A comparison of these potential parameters with the HSP value of each test substance showed an accuracy of 84.1% (53/63), 10.0% (3/30) false negatives, and 21.2% (7/ 33) false positives. By comparing the HSP of the resulting potential parameters with a test substance, it is possible to predict acute oral toxicity with high accuracy.

Automated summary

This study investigates a new method to predict acute oral toxicity based on Hansen solubility parameter (HSP), achieving an accuracy of 84.1% by comparing potential parameters with the HSP value of each test substance.