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Nonlinear QSAR Study of Xanthone and Curcuminoid Derivatives as α-Glucosidase Inhibitors
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  • Nonlinear QSAR Study of Xanthone and Curcuminoid Derivatives as α-Glucosidase Inhibitors
  • Nonlinear QSAR Study of Xanthone and Curcuminoid Derivatives as α-Glucosidase Inhibitors
저자명
Saihi. Youcef,Kraim. Khairedine,Ferkous. Fouad,Djeghaba. Zeineddine,Azzouzi. Abdelkader,Benouis. Sabrina
간행물명
Bulletin of the Korean Chemical Society
권/호정보
2013년|34권 6호|pp.1643-1650 (8 pages)
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대한화학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

A non linear QSAR model was constructed on a series of 57 xanthone and curcuminoide derivatives as ${alpha}$-glucosidase inhibitors by back-propagation neural network method. The neural network architecture was optimized to obtain a three-layer neural network, composed of five descriptors, nine hidden neurons and one output neuron. A good predictive determination coefficient was obtained (${R^2}_{Pset}$ = 86.7%), the statistical results being better than those obtained with the same data set using a multiple regression analysis (MLR). As in the MLR model, the descriptor MATS7v weighted by Van der Waals volume was found as the most important independent variable on the ${alpha}$-glucosidase inhibitory.