Quantitative Structure−Property Relationships for the Estimation of Boiling Point and Flash Point Using a Radial Basis Function Neural Network

American Chemical Society (ACS) - Tập 39 Số 3 - Trang 491-507 - 1999
John Tetteh1, Takahiro Suzuki1, E. Metcalfe1, Sían Howells1
1School of Chemical and Life Sciences, University of Greenwich, London SE18 6PF, and Research Laboratory of Resources Utilization, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503, Japan

Tóm tắt

Từ khóa


Tài liệu tham khảo

Gasteiger J., 1993, Neural Networks for Chemists:  An Introduction

National Fire Protection Agency., 1991, Fire Protection Guide on Hazardous Materials, 10

Patil G. S, 1988, Fire Materials., 12, 131

Satyanarayana K., 1991, Fire Materials, 15, 100, 10.1002/fam.810150208

Metcalfe E., 1992, Fire Materials, 16, 154, 10.1002/fam.810160307

Lyman W. J., 1982, Handbook of Chemical Property Estimation Methods

Suzuki T., 1991, J. Chem. Eng. Jpn., 24, 261, 10.1252/jcej.24.261

Egolf L. M., 1993, J. Chem. Inf. Comput. Sci., 33, 625, 10.1021/ci00014a015

Egolf L. M., 1994, J. Chem. Inf. Comput. Sci., 34, 956, 10.1021/ci00020a032

McClelland J. L., 1988, Explorations In Parallel Distributed Processing. A Handbook of Models, Programs and Exercises

Fletcher R., 1980, Practical Methods of Optimization, 1

Hall L. H., 1996, J. Chem. Inf. Comput. Sci., 36, 1014

Tetteh J., 1996, Chemom. Int. Lab. Sys., 32, 191, 10.1016/0169-7439(95)00088-7

Tetteh, J.Enhanced Target Factor Analysis and Radial Basis FunctionNeural Networks for Analytical Spectroscopy and QSAR, University of Greenwich:  London, Ph.D. Thesis, August 1997; pp 208−244.

Chen S., 1991, IEEE Trans. Neural Networks, 2, 309, 10.1109/72.80341

Geladi P., 1986, Anal. Chim. Acta, 185, 17

Haaland D. M., 1988, Anal. Chem., 60, 1202, 10.1021/ac00162a021

Powell M. J. D., 1987, Algorithms for Approximation, 167

Derks E. P. P. A., 1995, Robustness Analysis of Radial Basis Function and Multilayered Feed-Forward Neural Network Models. Chemom. Int. Lab. Sys., 28, 60

Broomhead D. S., 1988, Complex Systems, 2, 355

Lowe D., Proceedings of the first IEEE International Conference on Artificial Neural Networks; London

Moody J., 1989, Neural Computation, 1, 294, 10.1162/neco.1989.1.2.281

Botros S. M., 1991, Advances in neural information processing systems III, 713

Kadirkamanathan V., 1991, Advances in neural information processing systems III, 727

Tetteh J., 1998, Chemom. Int. Lab. Sys., 41, 29, 10.1016/S0169-7439(98)00035-5

1985, Lange's Handbook of Chemistry, 13

Dean J. A., 1987, Handbook of Organic Chemistry

Weininger D. SMILES, A, 1988, J. Chem. Inf. Comput. Sci., 28, 36, 10.1021/ci00057a006

Sabljie A., 1993, J. Chem. Inf. Comput. Sci., 33, 295

Suzuki T., 1990, Kagaku Kogaku Ronbunshu, 16, 1233

The Mathworks Inc., 1995, U.S.A