论文信息 - Estimation of the properties of hydrofluorocarbons by computer neural networks

Estimation of the properties of hydrofluorocarbons by computer neural networks

Abstract A simple computational scheme which utilizes computational neural networks was developed and used estimating physical properties of hydrofluorocarbons. Testing of the computational method has demonstrated that thermodynamic and physical characteristics (boiling point, density, critical temperature, heat of evaporation) could be predicted with an average error of 3–5%.

[1] J. Burdon,et al. The fluorination of Butane over cobalt trifluoride , 1988 .

[2] Gerald M. Maggiora,et al. Computational neural networks as model-free mapping devices , 1992, J. Chem. Inf. Comput. Sci..

[3] Nicholas Bodor,et al. Neural network studies. 1. Estimation of the aqueous solubility of organic compounds , 1991 .

[4] Peter C. Jurs,et al. Prediction of boiling points of organic heterocyclic compounds using regression and neural network techniques , 1993, J. Chem. Inf. Comput. Sci..

[5] J. Zupan,et al. Neural Networks in Chemistry , 1993 .

[6] D. Desmarteau,et al. Physical properties of fluorinated propane and butane derivatives as alternative refrigerants , 1993 .

[7] Alexandru T. Balaban,et al. Correlations between chemical structure and normal boiling points of halogenated alkanes C1-C4 , 1992 .

[8] A. A. Woolf. Boiling point relations in the halogenated ethane series , 1990 .

[9] William L. Kopko. Beyond CFCs: Extending the search for new refrigerants☆ , 1990 .

[10] E. Eger,et al. Practical preparation of some potentially anesthetic fluoroalkanes: regiocontrolled introduction of hydrogen atoms , 1992 .

[11] J. Zupan,et al. Neural networks: A new method for solving chemical problems or just a passing phase? , 1991 .

[12] Bobby G. Sumpter,et al. Neural Network-Graph Theory Approach to the Prediction of the Physical Properties of Organic Compounds , 1994, J. Chem. Inf. Comput. Sci..