QSAR Models for Cytotoxicity of Chlorinated Alkanes
R. Suganya1, S. Bharanidharan2, R.Velavan3
1R. Suganya, Department of physics, Bharath Institute of Higher education and research, Chennai , India.
2Dr. S.Bharanidharan Department of physics, Bharath Institute of Higher education and research, Chennai , India.
3Dr. R.Velavan Department of physics, Bharath Institute of Higher education and research, Chennai , India.
Manuscript received on 04 July 2019 | Revised Manuscript received on 17 July 2019 | Manuscript Published on 23 August 2019 | PP: 489-494 | Volume-8 Issue-9S3 August 2019 | Retrieval Number: I30930789S319/2019©BEIESP | DOI: 10.35940/ijitee.I3093.0789S319
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© The Authors. Blue Eyes Intelligence Engineering and Sciences Publication (BEIESP). This is an open-access article under the CC-BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/)
Abstract: Knowledge on the degree of toxicity of aliphatic hydrocarbons and their derivatives has become essential for environmental safety and security. In the present study, an effort has been put forth to analyze the toxicity of aliphatic hydrocarbons. This work focuses on development of new QSAR models with various DFT based descriptors. Cytotoxicity of Chlorinated alkanes with experimental activity log EC50 Values are utilized to obtain QSTR models.
Keywords: QSAR/ QSTR, DFT electrophilicity index (ω), polarizability (α), chemical potential (μ), and hardness (η)
Scope of the Article: Environmental Engineering