کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1181559 | 962956 | 2009 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
On the use of PLS and N-PLS in MIA-QSAR: Azole antifungals
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله

چکیده انگلیسی
The antifungal activities of a series of azole derivatives have been modeled by using MIA (multivariate image analysis) descriptors. Two regression methods were applied to correlate such descriptors with the activities column vector: bilinear (classical) and multilinear (N-way) partial least squares — PLS and N-PLS, respectively. The PLS-based model for this series of compounds demonstrated higher predictive ability than the N-PLS-based model, in opposition to some published results for other series of compounds. The activities block was taken in logarithmic scale (pMIC90(cpd)/pMIC90(bifonazole)) and the statistical performance of both models was found to be significantly better than the CoMFA analysis previously established.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemometrics and Intelligent Laboratory Systems - Volume 96, Issue 1, 15 March 2009, Pages 59–62
Journal: Chemometrics and Intelligent Laboratory Systems - Volume 96, Issue 1, 15 March 2009, Pages 59–62
نویسندگان
Mohammad Goodarzi, Matheus P. Freitas,