An integrated dataset for in silico drug discovery
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Talk given at the 6th Annual International Symposium on Integrative Bioinformatics, 22nd March.
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An integrated dataset for in silico drug discovery
- 1. An integrated dataset for in silico drug discovery Simon J Cockell
- 5. Ondex Input Integration Analysis Parse Parse Parse Map Map Map Visualise Filter Annotate
- 8. Workflow Parse Map http://bsu.ncl.ac.uk/ondex/ib2010_data.xml.gz 2D-Tanimoto G-Sesame DrugBank KEGG HPRD UniProt Dataset v1 Dataset v2 SymAtlas
- 12. Chlorpromazine
- 13. Semantic Motifs Potential Interaction Trimeprazine Chlorpromazine Histamine H1 Receptor drug (2) drug (1) target binds to similar to similar to binds to
- 14. Semantic motifs Protein 1 Protein 2 Disease 1 Disease 2 Drug A Drug B
Notas del editor
- Viagra – was pulmonary arterial hypertension – now erectile dysfunction Zyban – was antidepressant – now smoking cessation aid Thallidomide – was anti-emetic – now used for treating cancers & leprosy
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