]*>","")" /> 改良人工神经网络方法预测烷烃物理性质

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改良人工神经网络方法预测烷烃物理性质

刘树深,杨万平,曹展忠,李志良   

  1. 桂林工学院应用化学系!桂林541004,桂林工学院应用化学系!桂林541004,湘潭师范学院化学系!湘潭411100,湖南大学化学化工学院!长沙410082
  • 出版日期:1998-04-25 发布日期:1998-04-25

PREDICTION OF PHYSICAL PROPERTIES OF ALKANES BY NOVEL MODIFIED BACK PROPAGATION NEURAL NETWORK

Liu Shushen;Yan Wanping;Cao Chengzhong;Li Zhiliang(Department of Applied Chemistry,Guilin Institute of Technology,Guilin 54l004)(Department of Chemistry,Xiangtan Teachers College,Xiangtan 411100)(Institute of Chemistry and Chemical Engineering,Hunan Univ   

  • Online:1998-04-25 Published:1998-04-25

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107

被引次数

28 | 7

Abstract: A quantative relationship exists between the structrue and physical properties of organic compounds.The molecular structrue of the examined compounds is selectively described by a molecular distance-edge（MDE）vector.The physical properties of alkanes such as boiling points,density at 25℃,refractive index at 25℃, heat capacity at 300K,Gibbs energy,enthalpy at 300K are estimated with satisfactory results by a novel modified back- propagation neural network method based on the above MDEvectot.

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