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QSAR/QSPR Studies by Kernel Machines, Recursive Neural Networks and Their Integration

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Neural Nets (WIRN 2003)

Part of the book series: Lecture Notes in Computer Science ((LNCS,volume 2859))

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Abstract

We present preliminary results on a comparison between Recurrent Neural Networks (RecNN) and an SVM using a string kernel on QSPR/QSAR problems. In addition to this comparison, we report on a first attempt to combine RecNN with SVM.

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References

  1. Bianucci, A.M., Micheli, A., Sperduti, A., Starita, A.: Application of cascade correlation networks for structures to chemistry. Journal of Applied Intelligence 12, 117–146 (2000)

    Article  Google Scholar 

  2. Cherqaoui, D., Villemin, D.: Use of neural network to determine the boiling point of alkanes. J. Chem. Soc. Faraday Trans. 90(1), 97–102 (1994)

    Article  Google Scholar 

  3. Hadjipavlou-Litina, D., Hansch, C.: Quantitative structure-activity relationships of the benzodiazepines. a review and reevaluation. Chemical Reviews 94(6), 1483–1505 (1994)

    Article  Google Scholar 

  4. Hsu, C., Lin, C.: A comparison of methods for multi-class support vector machines (2001)

    Google Scholar 

  5. Joachims, T.: Text categorization with support vector machines: learning with many relevant features. In: Nédellec, C., Rouveirol, C. (eds.) ECML 1998. LNCS, vol. 1398, pp. 137–142. Springer, Heidelberg (1998)

    Chapter  Google Scholar 

  6. Mangasarian, O.L., Musicant, D.R.: Successive overrelaxation for support vector machines. IEEE-NN 10(5), 1032 (1999)

    Google Scholar 

  7. Collins, M., Duffy, N.: Convolution kernels for natural language (2001)

    Google Scholar 

  8. Sperduti, A., Starita, A.: Supervised neural networks for the classification of structures. IEEE Transactions on Neural Networks 8(3), 714–735 (1997)

    Article  Google Scholar 

  9. Vishwanathan, S.V.N., Smola, A.J.: Fast kernels for string and tree matching. In: NIPS 2002 Proceeedings (2003)

    Google Scholar 

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© 2003 Springer-Verlag Berlin Heidelberg

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Micheli, A., Portera, F., Sperduti, A. (2003). QSAR/QSPR Studies by Kernel Machines, Recursive Neural Networks and Their Integration. In: Apolloni, B., Marinaro, M., Tagliaferri, R. (eds) Neural Nets. WIRN 2003. Lecture Notes in Computer Science, vol 2859. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-45216-4_35

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  • DOI: https://doi.org/10.1007/978-3-540-45216-4_35

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-20227-1

  • Online ISBN: 978-3-540-45216-4

  • eBook Packages: Springer Book Archive

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