Modeling of toxicity of heterogeneous set of compounds using sterimol and structural parameters
Authors/Creators
Description
Department of Chemistry, Chameli Devi Institute of Technology, Indore, Madhya Pradesh, India
E-mail : navneetaupadhyay@gmail.com
Laxmi Fumigation & Pest Control, Research Division, 3, Khatipura, Indore-452 007, Madhya Pradesh. India
E-mail : pvkhadikar@rediffmail.com
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.