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Mohammad Hossein Fatemi

Mohammad Hossein Fatemi

Academic rank: Professor
ORCID:
Education: PhD.
ScopusId:
Faculty: Faculty of Chemistry
Address: http://rms.umz.ac.ir/~mhfatemi/en/
Phone: 01135342931

Research

Title
QSAR prediction of D2 receptor antagonistic activity of 6-methoxy benzamides
Type
JournalPaper
Keywords
Antagonistic activity Artificial neural network Multiple linear regression Quantitative structureeproperty relationship Molecular descriptor
Year
2010
Journal European Journal of Medicinal Chemistry
DOI
Researchers Mohammad Hossein Fatemi ، Fereshteh Dorostkar

Abstract

Quantitative structureeactivity relationship (QSAR) method was used to predict the pIC50 value of 58 derivatives of 6-methoxy benzamides in this work. The artificial neural network (ANN) and multiple linear regressions (MLR) were used to construct the non-linear and linear QSAR models, respectively. The standard errors in the prediction of pIC50 for training, internal and external test sets, are; 0.280, 0.446 and 0.382 by MLR model and are; 0.175, 0.326 and 0.296 by ANN model, respectively. Also these models were further examined by cross-validation methods which produce the statistics of Q2 ¼ 0.8340 and SPRESS ¼ 0.322 for MLR model and Q2 ¼ 0.8055 and SPRESS ¼ 0.219 for ANN model