Robustness of A KOC Prediction Model Basedon Fragment Constants
有机化合物KOC片段常数估算模型的误差与稳健性分析

Modified jackknife tests were applied to examine the robustness of a prediction model for organic carbon normalized sorption coefficient (KOC) based on fragment constants and structural correction factors. Similar trends were observed using various kinds of jackknife tests. Fairly high robustness of the model was demonstrated by the calculated jackknife coefficients of determination (R2). The highest variation in the jackknife coefficient occurred when a group of chemicals within the same category was eliminated from the data set.