A quantitative structure activity relationship study on HIV-1integrase inhibitors
Publish place: National Conference on Nanotechnology and Green Chemistry
Publish Year: 1391
Type: Conference paper
Language: English
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IAUET01_142
Index date: 30 June 2013
A quantitative structure activity relationship study on HIV-1integrase inhibitors abstract
Quantitative structure activites relationship (QSAR) study has been done on Dihydro pyrimidin 4- carboxamide and diketo analogues acting as HIV-1 integrase inhibitos. Genetic algorithm (GA), artificial neural network (ANN) and multiple linear regression (MLR) were used to create the non-linear and linear QSAR models. GA-ANN model was much better than other models. The root-mean-square errors of the training set and the test set for Dihydro pyrimidine 4-carboxamide GA-ANN model using jack-knife were 0.1465, 0.9568, R2=0.82, respectively. For diketo compounds were 0.1403, 0.2248, R2 = 0.70, respectively.
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A quantitative structure activity relationship study on HIV-1integrase inhibitors authors
Gh Ghasemi
Islamic Azad University, Rasht Branch, Department of chemistry, Rasht, Iran
Hamid Kefayati
Islamic Azad University, Rasht Branch, Department of chemistry, Rasht, Iran
S Bashiri
Islamic Azad University, Rasht Branch, Department of chemistry, Rasht, Iran
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