1. Beyond the PDF 2
Demo and Supporting
Material
Daniel Garijo Verdejo
Ontology Engineering Group. Laboratorio de Inteligencia Artificial
Departamento de Inteligencia Artificial
Facultad de Informática
Universidad Politécnica de Madrid
2. The TB-Drugome
Have you ever heard about the TB-Drugome?
http://funsite.sdsc.edu/drugome/TB/
•Workflow presented on the previous Beyond the PDF Workshop
•Constructed to detect whether any approved drug could be a candidate to cure
the TB.
•All materials used for the experiment are presented in the website.
•Can it be reproduced?? How much would it cost??
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6. Measuring the reproducibility effort
Tasks Time (days)
Familiarization with workflow and running software 20
SMAP steps 4
SMAP result sorter steps 1
Merger steps 0.5
Get significant results 0.5
FATCAT URL checker 1
FATCAT step 0.5
Remove significant pairs 0.5
Create clip files 1
Create ideal ligands 1
Ideal ligand checker 1
Autodock Vina 2
Data visualization steps 2
TOTAL 35 days
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7. Linked Data Publication
Workflow executed with the Wings workflow engine
Provenance and specification published according the PROV standard and the
Open Provenance Model. All data is published under the Linked Data Principles
automatically.
The workflow is part of a corpus (LINK) which has been exposed as Linked
Data, along with its provenance and specifications.
LINK: Querying the LD workflow templates
LINK: Exposing workflows as Wikipages automatically
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8. Beyond the PDF 2
Demo and Supporting
Material
Daniel Garijo Verdejo
Ontology Engineering Group. Laboratorio de Inteligencia Artificial
Departamento de Inteligencia Artificial
Facultad de Informática
Universidad Politécnica de Madrid