Substructure Prediction from Infrared Spectra by Using Support Vector Machines

• 出 处: Chinese Chemical Letters
• 发表日期: 2005年10期
• 关键词: Infrared Prediction trained interpretation regularization correctly dominated ke

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.

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.