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 Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs. 106-114 2005 45 Journal of Chemical Information and Modeling 1 http://dx.doi.org/10.1021/ci049747p db/journals/jcisd/jcisd45.html#NetzevaABCGLMVS05