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Original Articles

How to See Characteristics of Structural Parameters in QSAR Analysis: Descriptor Mapping Using Neural Networks

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Pages 115-130 | Received 10 Jun 1992, Accepted 14 Nov 1992, Published online: 24 Sep 2006

References

  • Hansch , C. , Muir , R. M. , Fujita , T. , Maloney , P. , Geiger , E. and Streich , M. 1963 . The correlation of biological activity of plant growth regulators and chloromycetin derivatives with Hammett constants and partition coefficients . J. Am. Chem. Soc. , 85 : 2817 – 2824 .
  • Hansch , C. and Fujita , T. 1964 . ρ-σ-π Analysis. A method for the correlation of biological activity and chemical structure . J. Am. Chem. Soc. , 86 : 1616 – 1626 .
  • Hansch , C. 1976 . On the structure of medicinal chemistry . J. Med. Chem. , 19 : 1 – 6 .
  • Austel , V. and Kutter , E. 1980 . “ Practical procedures in drug design ” . In Drug Design, Medicinal Chemistry , Edited by: Ariens , E. J. Vol. 10. , 1 New York : Academic Press .
  • Goldstein , A. , Aronow , L. and Kalman , N. S. 1974 . Principles of Drug Action: Basis of Pharmacology, , 2nd edn. , New York : Wiley & Sons .
  • van Rossum , J. M. 1971 . “ Significance of pharmacokinetics for drug design and planning of dosage regimens ” . In Drug Design, Medicinal Chemistry , Edited by: Ariens , E. J. Vol. 1 , 469 New York : Academic Press .
  • Seydel , J. K. 1971 . Drug Design, Medicinal Chemistry , Edited by: Ariens , E. J. Vol. 1 , 343 New York : Academic Press .
  • Seydel , J. K. and Schaper , K.-J. 1979 . Chemische Struktur und biologische Activitat van Wirkstoffen. , Weinheim : Verlag Chemie .
  • Leffler , J. E. and Grunwald , E. 1963 . Rates and Equilibria of Organic Reactions. , New York : Wiley & Sons .
  • Topliss , J. G. 1983 . Quantitative Structure-Activity Relationships of Drugs , New York : Academic Press .
  • Aoyama , T. , Suzuki , Y. and Ichikawa , H. 1989 . Neural networks applied to pharmaceutical problems. 1. Method and application to decision making . Chem. Pharm. Bull. , 37 : 2558 – 2560 .
  • Aoyama , T. , Suzuki , Y. and Ichikawa , H. 1990 . Neural network applied to structure-activity relationships . J. Med. Chem. , 33 : 905 – 908 .
  • Aoyama , T. , Suzuki , Y. and Ichikawa , H. 1990 . Neural networks applied to quantitative structure-activity relationship analysis . J. Med. Chem. , 33 : 2583 – 2590 .
  • Aoyama , T. and Ichikawa , H. 1991 . Basic operating characteristics of neural networks when applied to structure-activity studies . Chem. Pharm. Bull. , 39 : 358 – 366 .
  • Aoyama , T. and Ichikawa , H. 1991 . Obtaining the correlation indices between drug activity and structural parameters using a neural network . Chem. Pharm. Bull. , 39 : 372 – 378 .
  • Aoyama , T. and Ichikawa , H. 1991 . Reconstruction of weight matrices in neural networks: A method of correlating outputs with inputs . Chem. Pharm. Bull. , 39 : 1222 – 1228 .
  • Aoyama , T. and Ichikawa , H. 1992 . Neural networks as nonlinear SAR analyzers: Useful functions of partial derivative method in multi-layer neural networks . J. Chem. Inf. Comput. Sci. , 32 : 429 – 500 .
  • Andrea , T. A. and Kalayeh , H. 1991 . Applications of neural networks in quantitative structure-activity relationships of dihydrofolate reductase inhibitors . J. Med. Chem. , 34 : 2824 – 2836 .
  • Rumelhart , D. E. and McClelland , N. L. 1986 . Parallel Distributed Processing Exploration in Microstructure of Cognition , Vols 1 and 2 , Cambridge, Massachusetts : MIT Press .
  • Nakao , H. and Arakawa , M. 1972 . Antileukemic agents. 1. Some 2,5-disubstituted p-benzoquinones . Chem. Pharm. Bull. , 20 : 1962 – 1967 .
  • Nakao , H. , Arakawa , M. , Nakamura , T. and Fukushima , M. 1972 . Antileukemic agents. 2. New 2,5-bis(l-aziridinyl)-p-benzoquinone derivatives . Chem. Pharm. Bull. , 20 : 1968 – 1979 .
  • Khan , A. H. and Driscoll , J. S. 1976 . Potential central nervous system antitumor agents. Aziridinyl benzoquinones. 1 . J. Med. Chem. , 19 : 313 – 317 .
  • Chou , F. , Khan , A. H. and Driscoll , J. S. 1976 . Potential central nervous system antitumor agents. Aziridinyl benzoquinones . J. J. Med. Chem. , 19 : 1302
  • Yoshimoto , M. , Miyazawa , H. , Nakao , H. , Shinkai , K. and Arakawa , M. 1979 . Quantitative structure-activity relationships in 2,5-bis(l-aziridinyl)-p-benzoquinone derivatives against leukemia L-1210 . J. Med. Chem. , 22 : 491 – 496 .

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