Predictive models for hERG potassium channel blockers
Predictive models for hERG potassium channel blockers
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DOI：
10.1016/j.bmcl.2005.03.062
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发表时间：
2005-08-01
影响因子：
2.7
通讯作者：
Vaz, RJ
中科院分区：
文献类型：
--
作者：
Cianchetta, G;Li, Y;Vaz, RJ
我们在此报告了一种预测hERG钾通道阻滞剂的通用方法，该方法使用从大型数据集和基于药物团的GRIND描述符的相关性分析生成的计算模型。这些3D-QSAR模型与其他传统的基于化学计量学的HQSAR方法进行了比较。(c) 2005 Elsevier Ltd版权所有。
We report here a general method for the prediction of hERG potassium channel blockers using computational models generated from correlation analyses of a large dataset and pharmacophore-based GRIND descriptors. These 3D-QSAR models are compared favorably with other traditional and chemometric based HQSAR methods. (c) 2005 Elsevier Ltd. All rights reserved.