Graph Kernels for Molecular Structure−Activity Relationship Analysis with Support Vector Machines-Reference-Cited by-同舟云学术

Graph Kernels for Molecular Structure−Activity Relationship Analysis with Support Vector Machines

Published:2005-05-27 Issue:4 Volume:45 Page:939-951
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Mahé Pierre¹,Ueda Nobuhisa¹,Akutsu Tatsuya¹,Perret Jean-Luc¹,Vert Jean-Philippe¹

Affiliation:

1. Ecole des Mines de Paris, 35 rue Saint Honoré, 77305 Fontainebleau, France, and Bioinformatics Center, Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci050039t

Reference22 articles.

1. Data Mining and Machine Learning Techniques for the Identification of Mutagenicity Inducing Substructures and Structure Activity Relationships of Noncongeneric Compounds

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