کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1180851 | 962875 | 2006 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
QSAR study of anti-HIV HEPT analogues based on multi-objective genetic programming and counter-propagation neural network
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Quantitative structure-activity relationship (QSAR) has been developed for a set of inhibitors of the human immunodeficiency virus 1 (HIV-1) reverse transcriptase, derivatives of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT). Structural descriptors used in this study are Hansch constants for each substituent and topological descriptors. We have applied the variable selection method based on multi-objective genetic programming (GP) to the HEPT data and constructed the nonlinear QSAR model using counter-propagation (CP) neural network with the selected variables. The obtained network is accurate and interpretable. Moreover in order to confirm a predictive ability of the model, a validation test was performed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemometrics and Intelligent Laboratory Systems - Volume 83, Issue 2, 15 September 2006, Pages 91-98
Journal: Chemometrics and Intelligent Laboratory Systems - Volume 83, Issue 2, 15 September 2006, Pages 91-98
نویسندگان
Masamoto Arakawa, Kiyoshi Hasegawa, Kimito Funatsu,