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期刊论文

Genetic Training of Network Using Chaos Concept: Application to QSAR Studies of Vibration Modes of Tetrahedral Halides

俞汝勤QINGZHANG LU GUOLI SHEN RUQIN YU

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摘要/描述

The chaotic dynamical system is introduced in g enetic algorithm to train ANN to formulate the CGANN algorithm. Logistic mapping as one of the most important chaotic dynamic mappings provides each new generation a high chance to hold GA's population diversity. This enhances the ability to overcome overfitting in training an ANN. The proposed CGANN has been used for QSAR studies to predict the tetrahedral modes (1(A1) and 2(E)) of halides [MX4]. The frequencies predicted by QSAR were compared with those calculated by quantum chemistry methods including PM3, AM1, and MNDO/d. The possibility of improving the predictive ability of QSAR by including quantum chemistry parameters as feature variables has been investigated using tetrahedral tetrahalide examples.\

【免责声明】以下全部内容由[俞汝勤]上传于[2005年03月08日 18时26分03秒],版权归原创者所有。本文仅代表作者本人观点,与本网站无关。本网站对文中陈述、观点判断保持中立,不对所包含内容的准确性、可靠性或完整性提供任何明示或暗示的保证。请读者仅作参考,并请自行承担全部责任。

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