• Dr. Sameer Dixit
• Dr. Arun K Sikarwar

QSAR studies have been performed on 49 molecules of phenol and its derivatives. Phenol and its derivatives are known to induce caspase-mediated apoptosis activity and cytotoxicity on various cancer cell lines. Quantitative structure-activity relationship studies on the cellular apoptosis and cytotoxicity of phenolic compounds have been investigated recently by Selassie and colleagues1 wherein models were developed for various carcinogenic cell lines. These quantitative structure-activity relationship models are based on few calculated and experimentally obtained physicochemical parameter Polarizability (α) The paper deals with structure-activity relationships of phenols and its derivatives for the development of predictive models from several descriptors. To developing the models for Polarizability (α) of phenol derivatives we used descriptors like Mor04m, Mor23m, FDI, RDF045m, MATS5p, R3e, eHOMO, eLUMO and the best model proposed for Polarizability (α) of Phenol’s & its Derivatives.

Polarizability, QSAR, Molecular descriptors, 3D MoRSE descriptors, FDI descriptors, RDF descriptors, Moreau autocorrelation descriptors, correlation coefficient. PRESS, SPRESS, R2cv, PSE, LSE

"Statistical Approach to Prediction of Polarizability (α) of Phenol’s & its Derivatives as anti-Leukaemia agents", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.10, Issue 4, page no.e474-e478, April-2023, Available :http://www.jetir.org/papers/JETIR2304466.pdf

"Statistical Approach to Prediction of Polarizability (α) of Phenol’s & its Derivatives as anti-Leukaemia agents", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.10, Issue 4, page no. ppe474-e478, April-2023, Available at : http://www.jetir.org/papers/JETIR2304466.pdf