Vahid Zare-Shahabadi

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Quantitative structure-activity relationship (QSAR) models were derived for 179 analogues of artemisinin, a potent antimalarial agent. The activities of these compounds were investigated by means of multiple linear regression (MLR). To select relevant descriptors, several methods including stepwise selection, successive projection algorithm and an ant(More)
Risk assessment of chemicals is an important issue in environmental protection; however, there is a huge lack of experimental data for a large number of end-points. The experimental determination of toxicity of chemicals involves high costs and time-consuming process. In silico tools such as quantitative structure-toxicity relationship (QSTR) models, which(More)
Quantitative structure-activity relationship (QSAR) models were derived for 179 analogues of artemisinin, a potent antimalarial agent. Molecular descriptors derived solely from molecular structure were used to represent molecular structure. Utilizing replacement method, a subset of 11 descriptors was selected. General regression neural network (GRNN) was(More)
Pneumocystis carinii is a nonpathogenic fungus found in respiratory tract of healthy humans. It is a major cause of death in AIDS patients. P. carinii dihydrofolatereductase inhibitors such as trimetrexate are currently used to treat P. carinii pneumonia. These drugs have several adverse side effects and, therefore, there is a critical need for the(More)
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