The use of electrotopological state indices in QSAR studies
Anna Tsantili‐Kakoulidou, Lemont B. Kier, N Joshi · Journal de Chimie Physique · 1992
The development and the interpretation of a non-empirical, atom- centered molecular descriptor the electrotopological state (E-state) have been discussed. This descriptor encodes information about the electronic and topological nature of atoms in molecules. The E-state values are seen in QSAR equations to predict the odor sensitivity of pyrazines and the anesthetic concentration of haloalkanes.