9. Kernel Function Applications in Cheminformatics

  1. Ujjwal Maulik2,
  2. Sanghamitra Bandyopadhyay3 and
  3. Jason T. L. Wang4
  1. Aaron Smalter and
  2. Jun Huan

Published Online: 25 AUG 2010

DOI: 10.1002/9780470872352.ch9

Computational Intelligence and Pattern Analysis in Biological Informatics

Computational Intelligence and Pattern Analysis in Biological Informatics

How to Cite

Smalter, A. and Huan, J. (2010) Kernel Function Applications in Cheminformatics, in Computational Intelligence and Pattern Analysis in Biological Informatics (eds U. Maulik, S. Bandyopadhyay and J. T. L. Wang), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9780470872352.ch9

Editor Information

  1. 2

    Department of Computer Science and Engineering, Jadavpur University, Kolkata, India

  2. 3

    Machine Intelligence Unit, Indian Statistical Institute, Kolkata, India

  3. 4

    Department of Computer Science, New Jersey Institute of Technology, Newark, New Jersey, USA

Author Information

  1. Department of Electrical Engineering and Computer Science, University of Kansas, Lawrence, Kansas, USA

Publication History

  1. Published Online: 25 AUG 2010
  2. Published Print: 11 OCT 2010

ISBN Information

Print ISBN: 9780470581599

Online ISBN: 9780470872352

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Keywords:

  • kernel function applications - in cheminformatics;
  • spectrum kernels, simplifying certain kernels - working in finite-dimensional feature space based on a set of subgraphs;
  • SMARTS string of highly ranked chemical patterns from OAPD method

Summary

This chapter contains sections titled:

  • Introduction

  • Background

  • Related Works

  • Alignment Kernels with Pattern-Based Features

  • Alignment Kernels with Approximate Pattern Features

  • Matching Kernels with Approximate Pattern-Based Features

  • Graph Wavelets for Topology Comparison

  • Conclusions

  • References