Title : ( Structure-Activity Relationship for Fe(III)-Salen-Like Complexes as Potent Anticancer Agents )
Authors: zahra ghanbari , Mohammad Reza Housaindokht , Mohammad Izadyar , Mohammad R. Bozorgmehr , Hossein Eshtiagh Hosseini , Ahmad Reza Bahrami , Maryam Moghaddam Matin , Maliheh Javan Khoshkholgh ,
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Abstract
Quantitativestructureactivityrelationship(QSAR)fortheanticanceractivityofFe(III)-salenandsalen-likecomplexeswasstudied.The methods of density function theory (B3LYP/LANL2DZ) were used to optimize the structures. A pool of descriptors was calculated: 1497 theoretical descriptors and quantum-chemical parameters, shielding NMR, and electronic descriptors. The study of structure and activity relationship was performed with multiple linear regression (MLR) and artificial neural network (ANN). In nonlinearmethod,theadaptiveneuro- fuzzyinferencesystem(ANFIS)wasappliedinordertochoosethemosteffectivedescriptors. The ANN-ANFIS model with high statistical significance (
Keywords
, ًًَُُQSAR,
@article{paperid:1043043,
author = {Ghanbari, Zahra and Housaindokht, Mohammad Reza and Izadyar, Mohammad and Mohammad R. Bozorgmehr and Eshtiagh Hosseini, Hossein and Bahrami, Ahmad Reza and Moghaddam Matin, Maryam and Maliheh Javan Khoshkholgh},
title = {Structure-Activity Relationship for Fe(III)-Salen-Like Complexes as Potent Anticancer Agents},
journal = {The Scientific World Journal},
year = {2014},
volume = {2014},
month = {April},
issn = {1537-744X},
pages = {1--10},
numpages = {9},
keywords = {ًًَُُQSAR;},
}
%0 Journal Article
%T Structure-Activity Relationship for Fe(III)-Salen-Like Complexes as Potent Anticancer Agents
%A Ghanbari, Zahra
%A Housaindokht, Mohammad Reza
%A Izadyar, Mohammad
%A Mohammad R. Bozorgmehr
%A Eshtiagh Hosseini, Hossein
%A Bahrami, Ahmad Reza
%A Moghaddam Matin, Maryam
%A Maliheh Javan Khoshkholgh
%J The Scientific World Journal
%@ 1537-744X
%D 2014
