紫杉醇溶解度预测QSAR模型的建立

2016 International Conference on Bioinformatics and Systems Biology (BSB) Pub Date : 2016-03-04 DOI:10.1109/BSB.2016.7552139

Nupur S. Munjal, Narendra Kumar, Manu Sharma, Chittaranjan Rout

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引用次数: 0

摘要

应用统计方法，建立了紫杉醇衍生物溶解度预测的QSAR模型。在高斯软件上对PM6进行了几何优化。进行非线性多共线性回归分析，得到R2为0.729,RMSE为1.96的QSAR模型。

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QSAR model development for solubility prediction of Paclitaxel

QSAR model for the prediction of solubility of Paclitaxel derivatives has been developed by using the statistical methods. Geometry optimization has been done at PM6 on Gaussian software. Non-linear multi-colinearity regression analysis was performed and a QSAR model was obtained with R2 of 0.729 and RMSE of 1.96.

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2016 International Conference on Bioinformatics and Systems Biology (BSB)

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