| Abstract: | The use of quantitative structure—activity relationships for the prediction of bioaccumulation, toxicity and biodegradability is briefly surveyed. A new parameter—the difference of the modulus of atomic charge across a selected bond in a molecule—is shown to correlate extremely well with 5-day biological oxygen demand for several series of compounds; furthermore, the equations for the several series are then combined to give a single, all-embracing correlation for the quantitative prediction of biodegradability. |
