Modelling the Anticancer Activity of 4-Alkoxy Cinnamic Analogues using 3D-Descriptors and Genetic Algorithm-Multiple Linear Regression (GA-MLR) Method

Journal of King Saud University - Science(2023)

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摘要
QSAR modelling as anticancer of 4-alkoxy cinnamic analogues has been done against their 3D descriptors. This modelling aims to develop the 4-alkoxy cinnamic analogues in better activity. We employed Kennard and Stone’s algorithm to split the data set into training and test set. Genetic Algorithm (GA) and Multiple Linear Regression (MLR) are used to select the influencing descriptors and to carry out statistically robust model.
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关键词
QSAR modelling,3D Descriptors,4-alkoxy cinnamic
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