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5. Substructure Prediction from Infrared Spectra by Using Support Vector Machines

Substructure Prediction from Infrared Spectra by Using Support Vector Machines

来源 :中国化学快报（英文版） | 被引量 : 0次 | 上传用户：zitayangxin2

【摘 要】

：

The potential of support vector machines (SVMs) for the substructure elucidation of infrared spectra have been investigated. The trained SVMs can identify the 1

【作 者】

：

Jun Hong LIU Min Chun LU Fu Sh 

【机 构】

：

College of Chemistry

【出 处】

：

中国化学快报（英文版）

【发表日期】

：

2004年期

【关键词】

：

Infrared spectra substructures support vector machines 

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The potential of support vector machines (SVMs) for the substructure elucidation of infrared spectra have been investigated. The trained SVMs can identify the 16 substructures with high accuracy.

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