Workflows

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

Web Service sample in .NET (1)

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To run this sample, you should first set up a web service with the following C# code: using System; using System.Collections.Generic; using System.Linq; using System.Web; using System.Web.Services; namespace TrabsEsicnece { [WebService(Namespace = "http://trabsescience.org/")] [WebServiceBinding(ConformsTo = WsiProfiles.BasicProfile1_1)] [System.ComponentModel.ToolboxItem(false)] public class Service1 : System.Web.Services.WebService { [WebMethod] public...

Created: 2015-10-13

Create Local Citation Graph (1)

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This workflow demonstrates how to build a local citation/reference graph for a single pubilcation in PubMed. The id input is the PubMed id (pmid) for any publication in the PubMed or PMC Europe. The workflow then queries the PMC Europe Web services to get the citations and references for this publication. Two XPath parsers are used to extract the citation and reference ids, which are then combined and passed on to an Rshell that draws a Sugiyama style layered graph using the igraph package. T...

Created: 2015-10-11

Credits: Magnus Palmblad

Get_Weather (1)

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Modeal based on other models already hosted at myExperiment, but with small changes (changed input from static to input type).

Created: 2015-10-06 | Last updated: 2015-10-06

PW2ENS (2)

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This workflow uses the WikiPathways Webservice/API to query to retrieve all ENSEMBL identifers for the given pathway.

Created: 2015-10-02 | Last updated: 2015-10-12

Credits: Kristina Hettne Eleni

GetWikiPWByENS (2)

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This workflow uses the WikiPathways Webservice/API to query for pathways containing a specific ENSEMBL identifier. The mapping service behind WikiPathways takes care of the identifier mapping, making sure that all relevant results are found even if they were originally reported using a different identifier scheme.

Created: 2015-10-02 | Last updated: 2015-10-12

Credits: Kristina Hettne Eleni

AllPW2ENS (2)

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This workflow uses the WikiPathways Webservice/API to query to retrieve all ENSEMBL identifers for all pathways and merge them into one, unique list.

Created: 2015-10-02 | Last updated: 2015-10-12

Credits: Kristina Hettne Eleni

Simple test with paralel execution using b... (1)

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A simple exercise on parallel processing using BeanShell

Created: 2015-10-01 | Last updated: 2015-10-01

Credits: Ciro Barbosa

Loop (1)

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Example of looping over asynchronous services. The dummy beanshell scripts represents the operations of an asynchronous submit-status-results style service, such as EBI's InterProScan and NCBI Blast. createJob creates a temporary file with the content "0". Filename retuirned as a "job ID". checkStatus reads the job, and return state "RUNNING" as long as the content is less than 10, increasing the number for each call. (As no actual job is being run) getResults reads the file content, with...

Created: 2015-09-29

Credits: Thiago Soares

Pipelined list iteration (1)

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Perform multiple iterations of services in order to show pipelining

Created: 2015-09-29

Credits: Thiago Soares

Drug-Drug Networks using Matador-DrugBank ... (1)

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These days, Networks of all kinds are all the rage! So here's a trickle contributing to the flood.The workflow generates a network based on Similarity between known drugs based on commonality of their "direct" drug target interactions.The workflow does not provide a comparison between Chemical similarity based network and one based on shared drug targets. It only provides the latter.Other nodes and interfaces to Cytoscape and exported csv can be used to further the network analy...

Created: 2015-09-17 | Last updated: 2015-09-17

Credits: Insilicoconsulting

SAR by Rgroup decomposition (1)

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This workflow showcases a simple way to use Rgroup decomposition for SAR analysis.Once R-groups are obtained for several sites on the Scaffold, molecular properties like logP, TPSA, number of heavy/hetero-atoms, various kinds of ring counts are calculated.While medicinal chemistry purists may decry calculating properties for fragments/R-groups, correlating these at each site with Ki (or activity) shows up interesting trends.It's immediately apparent if increasing logP at a given site incr...

Created: 2015-09-15

Credits: Insilicoconsulting

Author Publications and Citations by Year (2)

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This small 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. A conditional XPath is here used to only look up citing articles for cited work...

Created: 2015-09-14 | Last updated: 2015-09-17

Credits: Magnus Palmblad

Visualize Geographical Bias between PubMed... (3)

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This workflow analyzes the scientific output, as documented by PubMed, geographically. The workflow takes as input the PubMed data in XML and the ISO 3166-1 and ISO 3166-3 country lists. The XML files can contain any subset from two specific PubMed searches. for example for two different journals in the same field. The XPath components extract author affiliations, and feed these to a series of Beanshell components that match these with countries in the ISO standard. This data is then fed to ...

Created: 2015-09-10 | Last updated: 2015-09-10

Credits: Magnus Palmblad Arzu Tugce Guler

Get article titles from Europe PMC for sin... (2)

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This small workflow demonstrates how to connect to the new (August 2015) version of Europe PMC (http://europepmc.org/RestfulWebService). Changes from previous versions include the addition of a pageSize parameter, allowing the client to request up to 1,000 records at once. If this would still not be sufficient, the offSet paremeter can be used to retrieve data in chunks of 1,000 records and the Flatten List service used to concatenate the results.

Created: 2015-09-07 | Last updated: 2015-09-10

Credits: Magnus Palmblad

REF2014 impact study summary by ID (2)

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Queries the UK REF2014 impact study API by the ID of the study, extracts the ImpactSummary element, and outputs its value as text.

Created: 2015-09-05 | Last updated: 2015-09-05

AllPW2CHEBI (2)

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This workflow uses the WikiPathways Webservice/API to query to retrieve all Chemical Entities of Biological Interest (ChEBI) identifers for all pathways and merge them to one, unique list.

Created: 2015-09-01 | Last updated: 2015-10-12

Credits: Kristina Hettne Eleni

GetWikiPWByCHEBI (2)

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This workflow uses the WikiPathways Webservice/API to query for pathways containing a specific Chemical Entities of Biological Interest (ChEBI) identifier. The mapping service behind WikiPathways takes care of the identifier mapping, making sure that all relevant results are found even if they were originally reported using a different identifier scheme.

Created: 2015-09-01 | Last updated: 2015-10-12

Credits: Kristina Hettne Eleni

ListAllWikiPathways (2)

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This workflow retrieves all pathways currently in the WikiPathways database, using the WikiPathways REST API.

Created: 2015-09-01 | Last updated: 2015-10-12

Credits: Kristina Hettne Eleni

PW2CHEBI (2)

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This workflow uses the WikiPathways Webservice/API to query to retrieve all Chemical Entities of Biological Interest (ChEBI) identifers for the given pathway.

Created: 2015-09-01 | Last updated: 2015-10-12

Credits: Kristina Hettne Eleni

Phenotype to pubmed (1)

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This workflow takes in a phenotype search term, and searches for abstracts in the PubMed database. These are passed to the eSearch function and searched for in PubMed. Those abstracts found are returned to the user

Created: 2015-09-01

Credits: Heiko Schoof Paul Fisher

Attributions: Phenotype to pubmed

Chemical2URIs (1)

This workflow will map a chemical name or identifier to uniform resource identifiers (URIs). First the ChemSpider web service is used to map the chemical name to a ChemSpider identifier, then the ChemSpider identifier is mapped to URIs via the Open PHACTS platform.

Created: 2015-08-20

Credits: Aylin Metzner

connect to WoS Web services lite concept (1)

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This workflow is a concept for how Taverna could connect to the Thomson Reuters Web of Science (WoS) Web services lite. However, at this moment (2015-01-20), the authentication generate a session ID, but the other services (here search and closeSession) do not have an input port for this session ID. According to the documentation, this is required. The error message from the Web service also show this is missing. This workflow is "work in progress", but may nevertheless be of interest to an...

Created: 2015-08-19

Credits: Magnus Palmblad Yassene Arzu Tugce Guler

Online PubMed author search and geographic... (2)

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This workflow retrieves bibliographic data for a single author using the PMC Europe RESTful Web service and visualizes the geographic distribution of this author's and their co-authors' geographic distribution using the rworldmap package. This is version 2.0 of this workflow, incorporating changes to the Web service allowing up to 1,000 records to be retrieved at once, using the pageSize parameter.

Created: 2015-08-19 | Last updated: 2015-09-07

Credits: Magnus Palmblad Arzu Tugce Guler

Chemical2URIs (1)

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This workflow will map a chemical name or identifier to uniform resource identifiers (URIs). First the ChemSpider web service is used to map the chemical name to a ChemSpider identifier, then the ChemSpider identifier is mapped to URIs via the Open PHACTS platform.

Created: 2015-08-18

Credits: Kristina Hettne Eelke van der Horst BioSemantics

Get properties of drugs for genes by Entre... (3)

Given a Entrez gene_id the workflow extracts features of its protein (e.g. function, cellular localization and name) and properties of specific drugs for this protein (including activity, PSA, RO5, Smiles and molweight). This workflow uses 3 different services of OpenPHACTS (Target Pharmacology, Compound Information, Target Information).

Created: 2015-07-24 | Last updated: 2015-07-28

Credits: Katerina Nosikova Marco Roos Eleni Eelke van der Horst Elizaveta Besedina

SNP identification and evaluation for Diab... (1)

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This workflow gathers SNP information for a gene set of Diabetes Type II phenotype using BioMart queries. Furthermore, GO Terms and functional annotation clustering are defined for this gene set using FunctionalClusterDavid workflow. 

Created: 2015-06-23

Credits: Nikolaos Bismpikos Katy Wolstencroft

Attributions: FunctionalClusterDavid

Access OpenDAP (1)

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Created: 2015-06-09

Credits: Siddeswara Guru

Parent profit (1)

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Created: 2015-05-31 | Last updated: 2015-07-08

Credits: Robert Muetzelfeldt

Image2Tiff (GraphicsMagick) (3)

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Converts an input image to Tiff with given Compression (uses local imagemagick in given PATH) Saving in same path as original.

Created: 2015-05-28 | Last updated: 2015-05-28

Image2Tiff (Imagemagick) (3)

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Converts an input image to Tiff with given Compression (uses local imagemagick in given PATH) Saving in same path as original.

Created: 2015-05-28 | Last updated: 2015-05-28

Lintul crop model (1)

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Created: 2015-05-25

Credits: Robert Muetzelfeldt

forest cover (1)

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Created: 2015-05-25

Credits: Robert Muetzelfeldt

Daisyworld (1)

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Created: 2015-05-25

Credits: Robert Muetzelfeldt

4-stock linear cascade (1)

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Created: 2015-05-25

Credits: Robert Muetzelfeldt

gallery001 (1)

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Created: 2015-05-25

Credits: Robert Muetzelfeldt

compare_pubmed_results_geographically (1)

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This workflow analyzes the scientific output, as documented by PubMed, geographically. The workflow takes as input the PubMed data in XML and the ISO 3166-1 and ISO 3166-3 country lists. The XML file can contain any subset from a specific PubMed search. The XPath components extract author affiliations, and feed these to a series of Beanshell components that match these with countries in the ISO standard. This data is then fed to an Rshell using the rworldmap R package to map the affiliation ...

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

Credits: Magnus Palmblad Arzu Tugce Guler Bibliometrics and Scientometrics

Attributions: ISO 3166-1 and ISO 3166-3 Former countries

Using Graph Kernels for Feature Generation... (1)

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This example shows how to use graph kernels for feature generation.In this example we use the Root RDF Walk Count Kernel, and the Fast RDF WL Sub Tree Kernel.The input data for the process can be found here.More information about the process can be found here.

Created: 2015-05-04 | Last updated: 2015-05-04

Prioritize gene list for the Cure game (1)

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This workflow prioritizes a gene list according to its association with the 'concept_id'. Here we are prioritizing a gene list against breast cancer, in order to try to beat Barney in the game The Cure (http://genegames.org/cure/). Note: Before running this workflow the gene names supplied in the game first needs to be mapped to Entrez gene identifiers. This can be done using either this workflow http://www.myexperiment.org/workflows/3722 or a by performing a search in the NCBI Entrez gene d...

Created: 2015-04-29

Credits: Kristina Hettne Eleni

Attributions: Prioritize gene list

Answer to biostar https://www.biostars.org... (1)

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My answer to https://www.biostars.org/p/138848/ Question: How to replace a set of sequence ID's with another set of sequence ID's ?? Let us consider I have a file (Notepad or MS-doc) having 10 sequences with ID's A, B, C, D, E, F, G, H, I, J. I want to replace the ID's with K, L, M, N, O ,P, Q, R, S, T i.e., A to re replaced with K, B to be replaced with M and so on. How can I do this? I am a Biologist who have newly started analyzing Large data's and having this prob...

Created: 2015-04-20 | Last updated: 2015-04-20

Credits: PL

All-vs-All blastP commands (1)

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Creates all the necessary command-line commands to execute all-vs-all blastP from the given FASTA files. Includes making the necessary database. Does not execute the commands.  For OSX and UNIX/Linux only (due to path separator).

Created: 2015-04-17

Credits: Aurora Cain

Species of top BLAST hits (1)

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Galaxy workflow for counting species of top BLAST hits.This is an example workflow using the Galaxy wrappers for NCBI BLAST+, see https://github.com/peterjc/galaxy_blast and http://dx.doi.org/10.1101/014043This Galaxy workflow (file blast_top_hit_species.ga) is intended for an initial assessment of a transcriptome assembly to give a crude indication of any major contamination present based on the species of the top BLAST hit of 1000 representative sequences.Development of this workflow is und...

Created: 2015-04-08 | Last updated: 2015-04-08

Credits: Peter Cock

example if-the-else (1)

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Created: 2015-04-08

Create nanopublications (1)

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This workflow creates nanopublications for a gene list that is associated to Huntington's Disease

Created: 2015-04-03

Credits: Eleni BioSemantics

Attributions: create nanopublications converter_nanopublications

Prioritize gene list (1)

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This workflow prioritizes a gene list according to its association with the 'concept_id'. In our example here we are prioritizing a gene list to obtain genes that are more closely associated to huntingtin, the cause of huntington's disease

Created: 2015-04-03

Credits: Eleni BioSemantics