Semi-Correlations for the Simulation of Dermal Toxicity

The skin is the primary pathway for harmful substances to enter the body and a susceptible target organ, making compound-induced acute dermal toxicity a significant health risk. In this work, the possibility of modelling dermal toxicity using so-called semi-correlations is studied. Semi-correlations are a specific case of correlations, where one variable takes only two values. For example, 0 denotes the absence of activity (e.g., dermal toxicity), and 1 denotes the presence of activity. The described computational experiments can be carried out by interested readers using the freely available software CORAL.