Sensitivity, specificity, and accuracy of predictive models on phenols toxicity

摘要

The investigation of how the influential affect the metrics and predictivity of multiple linear regressions on a set of phenolic compounds with toxicity on Tetrahymena pyriformis is presented. The investigation of influential was conducted using standardized residuals (r_i-model) and Cook's distance (D_i-model) approaches. The applied approaches let to improvement of model's metrics, robustness and accuracy on the investigated sample. Overall, the r_i-model proved higher accuracy and robustness in terms of sensitivity while D_i-model proved robustness in terms of specificity. Characterization of the withdrawn compounds is essential for advance in developing models for the toxicity of phenols.