This article is part of the supplement: Semantic Web Applications and Tools for Life Sciences (SWAT4LS), 2009
Research
Linking the Resource Description Framework to cheminformatics and proteochemometrics
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* Corresponding author: Egon L Willighagen egon.willighagen@farmbio.uu.se
Uppsala University, Department of Pharmaceutical Biosciences, Box 591, SE-751 24 Uppsala, Sweden
Journal of Biomedical Semantics 2011, 2(Suppl 1):S6 doi:10.1186/2041-1480-2-S1-S6
Published: 7 March 2011Additional files
Additional file 2:
SPARQL query to extract an IC50 QSAR training data.
Format: RQ Size: 1KB Download file
Additional file 3:
SPARQL query to create a proteochemometrics data set for a ion channel proteins.
Format: RQ Size: 1KB Download file
Additional file 4:
Bioclipse Scripting Language script that queries DBPedia for small molecules.
Format: JS Size: 1KB Download file
Additional file 5:
Bioclipse Scripting Language script that queries Bio2RDF for HIV proteins.
Format: JS Size: 1KB Download file
Additional file 6:
Notation3 file of methanol using the CDK data model.
Format: N3 Size: 1KB Download file
Additional file 7:
Notation3 file showing a QSAR descriptor calculation output.
Format: N3 Size: 1KB Download file
Additional file 9:
Bioclipse Scripting Language script demonstrating how Prolog code can be run in Bioclipse.
Format: JS Size: 1KB Download file
Additional file 10:
Bioclipse Scripting Language script to search NMR spectra in a database.
Format: JS Size: 1KB Download file
Additional file 11:
Prolog script defining spectral similarity which allows searching the NMRShiftDB RDF data for matching spectra.
Format: PL Size: 3KB Download file