My role as a biologist and bioinformatician in e-science is to help increase the usefulness of emerging information technologies for biology, while experimenting with new ways to increase insight into mechanisms related to structure and function of DNA in the cell. I experiment with technologies such as workflow, knowledge extraction from text, semantic web and virtual research environments such as myExperiment.

More information on the blog below (originally uploaded as an example for the 'NBIC on workflows' workshop in Lunteren, the Netherlands, March 2008).

http://www.myexperiment.org/blogs/15

Other contact details:

Also see my web page at the University of Amsterdam: http://home.medewerker.uva.nl/m.roos1

Interests:

Structure/function relationship of DNA in the cell, e-science, automated support for modeling biological mechanisms by knowledge extraction and semantic web technology.

Field/Industry: Biology

Occupation/Role(s): PhD, e-(bio)scientist (biology 'power-user'), biology e-Science liaison for NBIC and e-Science organisations

Organisation(s):

Leiden University Medical Centre
University of Amsterdam
NBIC
OMII-UK / myGrid

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Christine Chichester

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Open PHACTS Drug Discovery FAQ Workflows

Created: 2014-11-05 11:12:18 | Last updated: 2014-11-05 11:15:59

Computational drug discovery using the KNIME workflow engine and the integrated resources of Open PHACTS for answering a number of important frequently asked pharmacology questions. 14 workflows for answering 16 different questions.

14 items in this pack

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Workflow

KNIME

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Christine Chichester

Q5: For molecules that contain substructur... (1)

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This workflow requires the input of a substructure of a chemical as represented as a SMILES string and a class of targets from either the ENZYME or Chembl target classification. It answers one of the scientific use cases (Question 5 see K. Azzaoui et al. Scientific competency questions as the basis for semantically enriched open pharmacological space development. Drug Discov. Today 18 (2013), p. 843-852) that was used as the basis for the development of the Open PHACTS Dis...

Created: 2014-09-29 | Last updated: 2014-09-29

Credits: Christine Chichester Daniela Digles Open PHACTS

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Taverna 2

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Kristina Hettne

SNPs to Concept Set through Concept Profil... (6)

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Purpose: Currently, this workflow takes one SNP and a concept set as input, calculates the matching score between these, finds co-occuring documents between the query concept and the match concept, finds the concept that contributes the most to the match, and the documents that support this finding. Author comments: The workflow is in Beta stage. It runs, but needs more testing with different parameter settings. This workflow can be used together with other workflows in this pack: http://www...

Created: 2012-06-26 | Last updated: 2013-02-05

Credits: Kristina Hettne Eleni Harish Dharuri Reinout van Schouwen Marco Roos Martijn Schuemie BioSemantics

Attributions: Find Supporting Documents SNP_ID2EntrezGene_ID DatabaseID to ConceptID Match gene lists based on information in literature Match concept profiles Explain concept scores

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