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
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
On the use of PLS and N-PLS in MIA-QSAR: Azole antifungals
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
نویسندگان
, ,