Modeling of toxicity of heterogeneous set of compounds using sterimol and structural parameters
Navneeta Upadhyay, Padmakar V. Khadikar, A. Sharma, Apoorva Upadhyay · Zenodo (CERN European Organization for Nuclear Research) · 2010
Department of Chemistry, Chameli Devi Institute of Technology, Indore, Madhya Pradesh, India E-mail : [email protected] Laxmi Fumigation & Pest Control, Research Division, 3, Khatipura, Indore-452 007, Madhya Pradesh. India E-mail : [email protected] Department of Chemistry, IPS Academy, Indore-452 00 I, Madhya Pradesh, India Department of Chemistry, Dr. H. S. Gaur University, Sagar-470 003, Madhya Pradesh, India. Manuscript received 23 September 2010, accepted 5 October 2010 The paper describes modeling of toxicity of a large set of 163 compounds using sterimol and structural parameters. The results indicated that excellent model is obtained using sterimol parameters (𝝅, R and F). The results are discussed using variety of statistical parameters.