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作者:

Jiang, Qiangrong (Jiang, Qiangrong.) | Ma, Jiajia (Ma, Jiajia.)

收录:

Scopus SCIE

摘要:

Considering the classification of compounds as a nonlinear problem, the use of kernel methods is a good choice. Graph kernels provide a nice framework combining machine learning methods with graph theory, whereas the essence of graph kernels is to compare the substructures of two graphs, how to extract the substructures is a question. In this paper, we propose a novel graph kernel based on matrix named the local block kernel, which can compare the similarity of partial substructures that contain any number of vertexes. The paper finally tests the efficacy of this novel graph kernel in comparison with a number of published mainstream methods and results with two datasets: NCI1 and NCI109 for the convenience of comparison.

关键词:

compound classification Graph kernel SVM

作者机构:

  • [ 1 ] [Jiang, Qiangrong]Beijing Univ Technol, Dept Comp Sci, Beijing, Peoples R China
  • [ 2 ] [Ma, Jiajia]Beijing Univ Technol, Dept Comp Sci, Beijing, Peoples R China

通讯作者信息:

  • [Jiang, Qiangrong]Beijing Univ Technol, Dept Comp Sci, Beijing, Peoples R China

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来源 :

JOURNAL OF BIOINFORMATICS AND COMPUTATIONAL BIOLOGY

ISSN: 0219-7200

年份: 2018

期: 6

卷: 16

1 . 0 0 0

JCR@2022

ESI学科: COMPUTER SCIENCE;

ESI高被引阀值:81

JCR分区:4

被引次数:

WoS核心集被引频次: 0

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