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BioMed Research International
Volume 2015, Article ID 584546, 14 pages
http://dx.doi.org/10.1155/2015/584546
Research Article

Prediction of Drug Indications Based on Chemical Interactions and Chemical Similarities

1Institute of Systems Biology, Shanghai University, Shanghai 200444, China
2Department of Mathematics, Shaoyang University, Shaoyang, Hunan 422000, China
3State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China
4Department of Mathematics, East China Normal University, Shanghai 200241, China

Received 9 August 2014; Accepted 11 September 2014

Academic Editor: Tao Huang

Copyright © 2015 Guohua Huang et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Supplementary Material

The Supplementary Material contains nine files. In detail, Supplementary Material I lists 1,733 drug compounds in the dataset DS1 and their indications; Supplementary Material II lists the number of drug samples in each category for dataset DS2; Supplementary Material III lists the detailed samples in each category for dataset DS2; Supplementary Material IV lists the performance of the method based on chemical similarities, where similarity scores were computed based on 8 types of fingerprints and k was set to 1, 2, …, 15, 1732; Supplementary Material V lists the prediction accuracies with different k obtained by the method based on chemical interactions on DS(i) evaluated by jackknife test; Supplementary Material VI lists the prediction accuracies obtained by three methods on DS(i), DS(s), DS2, evaluated by 5-fold cross-validation; Supplementary Material VII lists the prediction accuracy for each category by collecting the first two predictions obtained by the integrated method on DS2; Supplementary Material VIII lists the prediction accuracies obtained by methods based on chemical interactions, chemical similarities and integrated scores on DS(i) evaluated by jackknife test; Supplementary Material IX lists the prediction accuracies obtained by three methods on DS(i), DS(s), DS2, evaluated by jackknife test.

  1. Supplementary Material