Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs.

Aynur O. Aptula

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 J. Chem. Inf. Model. 1 https://doi.org/10.1021/ci049747p https://www.wikidata.org/entity/Q45235846 db/journals/jcisd/jcisd45.html#NetzevaABCGLMVS05

Mark T. D. Cronin Aynur O. Aptula John C. Dearden Judith C. Duffy Tatiana I. Netzeva Hiren Patel Philip H. Rowe T. Wayne Schultz Andrew P. Worth Konstantinos Voutzoulidis Gerrit Schüürmann Structure-Based Classification of Antibacterial Activity. 869-878 2002 42 J. Chem. Inf. Comput. Sci. 4 https://doi.org/10.1021/ci025501d https://www.wikidata.org/entity/Q57004233 db/journals/jcisd/jcisd42.html#CroninADDNPRSWVS02

Emilio Benfenati Mark T. D. Cronin John C. Dearden Judith C. Duffy Giuseppina GiniGiuseppina C. Gini Iglika Lessigiarska Uko Maran Tatiana I. Netzeva Hiren Patel Philip H. Rowe T. Wayne Schultz Gerrit Schüürmann Konstantinos Voutzoulidis Marjan Vracko Andrew P. Worth