کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1179995 | 962818 | 2008 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Multivariate image analysis applied to QSAR: Evaluation to a series of potential anxiolytic agents
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
A recently implemented QSAR method, whose descriptors derive from bidimensional images, is applied here to model some compounds with anxiolytic activities. A calibration set composed by 47 drug-like molecules (5-HT2C receptor antagonists) was built and a leave-one-out cross-validation, as well as an external validation, was carried out in order to test the predictive ability of the calibration model. The results (R2 = 0.866 and Q2 for the external validation set = 0.681, using 6 latent variables) were comparable to the ones obtained elsewhere, where a CoMFA model was used as 3D approach.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemometrics and Intelligent Laboratory Systems - Volume 91, Issue 2, 15 April 2008, Pages 173–176
Journal: Chemometrics and Intelligent Laboratory Systems - Volume 91, Issue 2, 15 April 2008, Pages 173–176
نویسندگان
Matheus P. Freitas,