Equalized electronegativity and topological indices: Application for modeling toxicity of nitrobenzene derivatives
Padmakar V. Khadikar, István Lukovits, Vijay K. Agrawal, Shachi Shrivastava, Mona Jaiswal, İvan Gutman, Sneha Karmarkar, Anjali Shrivastava · INDIAN JOURNAL OF CHEMISTRY- SECTION A · 2003
Use of equalized electronegativity (Χ e q ) in modeling toxicity of nitrobenzene is discussed. Results show that more reliable models can be obtained when Χ e q is combined with topological indices. The results are discussed by using multiple regression and cross-validation procedures.