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Scan range splitting for untargeted metabo... (1)

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This workflow analyzes untargeted HPLC-Orbitrap measurements split into separate or alternating scan ranges. The input nodes expect OpenMS consensusXML files that were exported using TextExporter. The workflow then combines the separate scan ranges, filters them utilizing blank and QC measurements, and performs a statistical analysis.Requirements:- KNIME Interactive R Statistics Integration

Created: 2016-01-14 | Last updated: 2016-01-14

Credits: Marc Rurik

TTPish workflow for MASSyPup64 with text s... (1)

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This proteomics workflow performs a comet search and subsequently a validation of the results with PeptideProphet/Protein Prophet. Results are exported in various formats, to facilitate the downstream evaluation in other programs and the sharing of data (EXCEL, csv, mzIdentML).Contrary to a standard Trans-Proteomic-Pipeline (TPP) installation, the workflow can be to mass spectrometry data in whatever localization (i.e. the files do not have to be uploaded/ copied to a special directory).The w...

Created: 2015-12-10

Credits: Robert Winkler

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Long list of stopwords

Created: 2015-12-07 14:46:51

Credits: Magnus Palmblad

License: Creative Commons Attribution-Share Alike 3.0 Unported License

File type: Excel workbook

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Example results from the UniProt Protein Protein Net...

Created: 2015-12-04 14:50:06

Credits: Magnus Palmblad Yassene

License: Creative Commons Attribution-Share Alike 3.0 Unported License

File type: PNG image

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Author Publications and Citations by Year ... (1)

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This workflow demonstrates how to connect to and use Europe PMC (http://europepmc.org/RestfulWebService) to count the number of publications and citations per year for one author. Two Web service calls are made. First, we searchPublications to retrieve the bibliographic records for all published work of a single author. Then, we getCitations to extract the year of all articles citing the work of this author. The pubYear fields is extracted from the raw Web service results and fed to an Rshel...

Created: 2015-12-04

Credits: Magnus Palmblad

Connecting to Europe PMC (1)

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This very simple workflow connects to Europe PMC using the searchPublications Web Service.

Created: 2015-12-04

Credits: Magnus Palmblad

SImple Europe PMC Search (1)

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This very simple workflow searches Europe PMC using the searchPublications Web Service and a conditional XPath to retrieve the article titles for all cited work matching the search query.

Created: 2015-12-04

Credits: Magnus Palmblad

UniProt Protein Protein Network (1)

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This workflow uses the Europe PMC Web Services searchPublications and getDatabaseLinks to reconstruct a protein-protein network based on co-occurence in the scientific literature, arbitrary filtered by a PubMed query, e.g. the word "complex" appearing in the title or abstract. The workflow also looks up the second degree connections, i.e. proteins co-occuring with proteins co-occuring with the protein given as input, but not with this protein itself. The output is a (1) Pajek graph file, a GM...

Created: 2015-12-04

Credits: Magnus Palmblad Yassene

Author Citation Network (1)

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Map citation/reference network for one author using Europe PMC Web services. This workflow is intended to show the integration of several Web services, XPath XML parsing and use of the igraph package in R. Although the workflow is functional, the information in PubMed is incomplete. This means the results may be a subset of the correct citation graph.

Created: 2015-12-04 | Last updated: 2015-12-04

Credits: Magnus Palmblad Yassene

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Annotating Experimental Data

Created: 2015-12-03 08:31:02

Credits: Katy Wolstencroft

License: Creative Commons Attribution-Share Alike 3.0 Unported License

File type: PowerPoint 2007 presentation

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Geo File for Annotation

Created: 2015-12-03 08:23:05

Credits: Katy Wolstencroft

License: Creative Commons Attribution-Share Alike 3.0 Unported License

File type: application/excel

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Author to Wordcloud (3)

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This small workflow demonstrates how to connect to and use Europe PMC (http://europepmc.org/RestfulWebService). The workflow searches the publications of an author, extracts the abstracts, counts the word frequencies and plot a wordcloud using the R package of the same name. The Rshell plot_wordcloud also applies text mining operations (transformation to lower case, removing punctuation, stripping whitespace and removing English stopwords) using the R package tm.

Created: 2015-12-02 | Last updated: 2015-12-07

Credits: Magnus Palmblad

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Taverna Tutorial Data Integration NL 2015

Created: 2015-12-02 10:41:00 | Last updated: 2015-12-02 10:43:03

Credits: Katy Wolstencroft

License: Creative Commons Attribution-Share Alike 3.0 Unported License

File type: Adobe PDF

Comments: 0 | Viewed: 71 times | Downloaded: 28 times

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Dissertation-Ch4-SupplementaryMaterial

Created: 2015-11-17 15:24:18 | Last updated: 2015-11-17 15:46:20

1 item in this pack

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Get ENSEMBL cross-references for UniProt IDs (1)

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This small workflow uses the PICR (http://www.ebi.ac.uk/Tools/picr/) WDSL Web Service to look up ENSEMBL (ENSP) cross-references for UniProt IDs. The input is a list of UniProt IDs and the output a corresponding list of ENSEMBL IDs. This instance of the workflow specifically uses the ENSEMBL_HUMAN database and taxonID 9606 (Homo sapiens).

Created: 2015-11-16

Credits: Magnus Palmblad

Get ontology parents (2)

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Retrieves the ontology parents of an entity including the relationship type, using the ChEBI identifier.

Created: 2015-11-16 | Last updated: 2016-04-26

Credits: Kristina Hettne

Attributions: Get ontology parents

Texture classification: Knime Image Analytics (1)

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A workflow including image pre-processing and descriptor calculation for building a texture classification model. The workflow can really be used for any kind of image classification task for which has labelled training data.There is significant scope of improvement, both on the image processing , descriptor selection and model building phases..Happy image analytics !

Created: 2015-11-10

Credits: Insilicoconsulting

Define one query and retrieve Molecular In... (1)

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Define one query and retrieve Molecular Interactions from PSICQUIC Services registered in the PSICQUIC registry.

Created: 2015-11-05

Query PSICQUIC and filter by idA and idB (... (1)

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Queries PSICQUIC and returns idA and idB.

Created: 2015-11-05

FInd/filter idA and idB from MITAB (1)

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A workflow to filter idA and idB out of a MITAB file.

Created: 2015-11-05 | Last updated: 2015-11-05

Get all PSICQUIC (1)

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Workflow to retrive all PSICQUIC services 

Created: 2015-11-04 | Last updated: 2015-11-04

Credits: Maximilian Koch

Pubmed -Google Tag Cloud (1)

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A simple workflow to query PubMed, Google and build a Tag Cloud after some preprocessing.

Created: 2015-11-01

Credits: Insilicoconsulting

Author Citation Network (1)

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Map citation/reference network for one author using Europe PMC Web services. This workflow was created during the Tavernathon exercise held at the LUMC on October 14, 2015 and is intended to show the integration of several Web services, XPath XML parsing and use of the igraph package in R. Although the workflow is functional, the information in PubMed is incomplete, resulting in the workflow producing a subset of the correct citation graph.

Created: 2015-10-20

Credits: Magnus Palmblad

RDKit Aggregator Advisor (1)

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A Knime (2.12.1) workflow that uses RDKit nodes for assessing the risk of a compound to form aggregates under biochemical assay conditions, inspired by the Aggregation Advisor paper of Irwin et al. While the Aggregator Advisor web tool allows for aggregation risk assessment of individual compounds, this Knime workflow can be used to quickly run through large compound collections.Query structures are loaded as an SD file (here a set of 1090 approved drugs), and are then compared for Tanimoto s...

Created: 2015-10-18 | Last updated: 2015-10-18

Credits: Evert Homan

RDKit PAINS 4 (1)

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Improved Knime (2.12.1) workflow for detection of Pan-Assay Interference Compounds (PAINS) using RDKit nodes. PAINS SMARTS curated by Greg Landrum are used for the substructure searches. These yield 753 hits among the WEHI set of 10,000 compounds. A Total Hits count column is added by the RDKit Substructure Counter node, so no additional aggregation is needed. Structures devoid of PAINS are separated out for further progression, while the PAINS hits can be visually inspected using the RDKit I...

Created: 2015-10-18 | Last updated: 2015-10-18

Credits: Evert Homan