Estimation of Biological Action of Dioxins by Some Geometric Descriptors

기하학적 변수에 의한 다이옥신의 독성 예측

  • Hwang, Inchul (Department of Chemistry, Seoul National University)
  • Published : 1999.10.01


To effectively predict the lipophilicity, the aryl hydrocarbon receptor (AhR) affinity, and TEF (Toxic equivalency factor) of dioxins by geometrical descriptors, the multiple linear regression methods with the forward selection and backward elimination were employed with statistical validity. The lipophilicity, the Ah receptor binding affinity, and the toxic equivalency factor of dioxins could be predicted using some geometrical descriptors.