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用于结构信息数值化的电负性拓扑指数方法
周家驹; 谢桂荣; 谢前; 孙红梅; 冯军; 许志宏
1995
Source Publication物理化学学报
Issue09Pages:777-780
Other AbstractElectronegativity topologic index (ETI) method has been proposed for the numerization of structuxal information. The use of group electronegativity (ETIO) in ETI is more reasonable than that of the intrinsic state term used in the E-state model. The ETI method can be used for direct description of molecular structure information in atom level. Application example showed that the ETI method in combination with artificial neural network and regression to build QSAR model was suitable for some systems.
Keyword结构信息数值化 电负性拓扑指数 人工神经网络 定量结构活性关系
Indexed ByCSCD
CSCD IDCSCD:282528
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Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/8569
Collection研究所(批量导入)
Recommended Citation
GB/T 7714
周家驹,谢桂荣,谢前,等. 用于结构信息数值化的电负性拓扑指数方法[J]. 物理化学学报,1995(09):777-780.
APA 周家驹,谢桂荣,谢前,孙红梅,冯军,&许志宏.(1995).用于结构信息数值化的电负性拓扑指数方法.物理化学学报(09),777-780.
MLA 周家驹,et al."用于结构信息数值化的电负性拓扑指数方法".物理化学学报 .09(1995):777-780.
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