Open AccessQSAR Models for Cytotoxicity of Chlorinated Alkanes
Publication year - 2019
Publication title -
international journal of innovative technology and exploring engineering
Language(s) - English
Resource type - Journals
ISSN - 2278-3075
DOI - 10.35940/ijitee.i3093.0789s319
Subject(s) - quantitative structure–activity relationship , cytotoxicity , toxicity , chemistry , biochemical engineering , molecular descriptor , environmental chemistry , computational chemistry , organic chemistry , stereochemistry , engineering , in vitro , biochemistry
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