کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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1397081 | 1501228 | 2007 | 6 صفحه PDF | دانلود رایگان |
Quantitative structure–activity relationship (QSAR) models of inhibiting action of some analogues of 4-(3-bromoanilino)-6,7-dimethoxyquinazoline on epidermal growth factor receptor tyrosine kinase were constructed using modified ant colony optimization (ACO) method. As a comparison to this method, the evolutionary algorithm (EA) was also tested. It has been demonstrated that the modified ACO is a useful tool for variable selection comparable to EA. In the selected descriptors, electronic descriptor σY− is the most important descriptor in predicting EGFR inhibitory activity. Electron-donating groups such as Y-substituents enhance the activity as evident by negative σY−. In addition, for quinazoline substituents, nitro group has a large deactivating effect.
Quantitative structure–activity relationship (QSAR) models of inhibiting action of some analogues of 4-(3-bromoanilino)-6,7-dimethoxyquinazoline on epidermal growth factor receptor tyrosine kinase were constructed using modified ant colony optimization (ACO) method.Figure optionsDownload as PowerPoint slide
Journal: European Journal of Medicinal Chemistry - Volume 42, Issue 1, January 2007, Pages 81–86