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Open Access Highly Accessed Methodology article

Predicting drug side-effect profiles: a chemical fragment-based approach

Edouard Pauwels123, Véronique Stoven123 and Yoshihiro Yamanishi123*

Author Affiliations

1 Mines ParisTech, Centre for Computational Biology, 35 rue Saint-Honoré, F-77305 Fontainebleau Cedex, France

2 Institut Curie, F-75248, Paris, France

3 INSERM U900, F-75248, Paris, France

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BMC Bioinformatics 2011, 12:169  doi:10.1186/1471-2105-12-169

Published: 18 May 2011

Additional files

Additional file 1:

Extracted features by the proposed method. All the results for drug chemical substructures and drug side-effects extracted by Sparse CCA are summarized in this file.

Format: TXT Size: 1.8MB Download file

Open Data

Additional file 2:

Predicted side-effects for unchatecterized drugs in DrugBank. All the results for uncharacterized drugs in DrugBank are summarized in this file, where the 1st column is Drug ID, the 2nd column is Pubchem compound ID, the 3rd column is the predicted side-effect, and the 4th column is prediction score.

Format: TXT Size: 1.2MB Download file

Open Data