کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1356582 981130 2009 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
QSAR studies on BK channel activators
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
QSAR studies on BK channel activators
چکیده انگلیسی
QSAR studies were developed on the basis of a dataset comprising BK channel activators previously synthesized and biologically assayed in our laboratory, in order to obtain highly accurate models enabling prediction of affinity toward the channel for New Chemical Entities (NCEs). Many molecular descriptors were computed by the CODESSA software. They were initially exploited in order to rationally split the available dataset into training and test set pairs, which supplied the basis for the development of QSAR models. Models were subjected to rigorous validation analysis based on the estimate of several statistical parameters, for the seek of the most accurate and simplest model enabling prediction of BK channel affinity.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Bioorganic & Medicinal Chemistry - Volume 17, Issue 1, 1 January 2009, Pages 319-325
نویسندگان
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