Estimation of environmental and toxicological properties: Approach and methodology

Abstract

The estimation of properties of environmental interest is discussed. A general method for estimation based on molecular topology is presented and examples given for several studies. The most widely used topological method is based on the molecular connectivity indexes, which represent molecular structure in numerical form. Other methods presented include shape indexes and an additivity model. The variety of examples discussed and references given indicates the vitality of the use of molecular topology. Copyright © 1989 SETAC