Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs. - Tatiana I. Netzeva; Aynur O. Aptula; Emilio Benfenati; Mark T. D. Cronin; Giuseppina C. Gini; Iglika Lessigiarska; Uko Maran; Marjan Vracko; Gerrit Schüürmann (J. Chem. Inf. Model., 2005)