کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1180222 1491571 2006 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Extended topological indices and prediction of activities of chiral compounds
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
Extended topological indices and prediction of activities of chiral compounds
چکیده انگلیسی
The activities/properties of two molecules with identical formula but different configuration states of the asymmetric atoms are different. Thus, usually the common topological indices are not suitable. In this study, the chiral topological indices were obtained by extending Ami indices suggested by our laboratory and molecular connectivity indices. The modified topological indices have been used for the studies on D2 for dopamine receptor and α receptor activities of fourteen N-alkylated 3-(3-hydroxyphenyl)-piperidines. It has been observed that selected variables possess low correlations. The results obtained by using multiple regression analysis and artificial neural networks are satisfactory.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemometrics and Intelligent Laboratory Systems - Volume 82, Issues 1–2, 26 May 2006, Pages 37-43
نویسندگان
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