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Scoring small molecules for metabolite lik... (2)

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 Prerequisite:   - CDK -Taverna Plugin 0.5.1 http://www.ts-concepts.de/cdk-taverna2/plugin/ - To run this workflow the atom_signatures file of Natural product(NP), Synthetic Molecules(SM) and query structures are needed - This could be generated from GenerateAtomSignatures.t2flow http://www.myexperiment.org/workflows/2120/download?version=1   Description of input ports : NP_file: needs precomputed Atom_signatures of desired Natural product structu...

Created: 2011-05-13 | Last updated: 2012-03-18

Credits: Kalai

Algorytm EM (1)

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Proces pokazuje przypadek wykorzystania algorytmu analizy skupien dzialajacego wedlug zasady expectation maximization (EM), czyli dopasowywania rozkladow do obserwowanego zbioru danych.

Created: 2011-05-11 | Last updated: 2013-08-19

Algorytm DBScan (1)

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Przeplyw ilustruje sposob wykorzystania algorytmu DBScan do znalezienia modelu skupien. Algorytm DBScan jest przykladem algorytmu bazujacego na gestosci, parametr epsilon wskazuje na promien sasiedztwa, a parametr min points wskazuje na minimalna liczbe punktow, jakie musza sie znalezc w sasiedztwie punktu aby kontynuowac rozrastanie sie skupienia.

Created: 2011-05-11 | Last updated: 2013-08-19

Wybor parametru k dla algorytmu k-Means (1)

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Proces pokazuje, w jaki sposob mozna eksperymentalnie dobrac wlasciwe wartosci parametru k (liczba poszukiwanych skupien) dla algorytmow k-Means i k-Medoids. Jako miary oceny podzialu wykorzystano srednia odleglosc od centroidu oraz indeks Daviesa-Bouldina

Created: 2011-05-11 | Last updated: 2013-08-19

Wybor poczatkowego podzialu dla algorytmu ... (1)

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Proces pokazuje, w jaki sposob mozna zautomatyzowac proces znajdowania najlepszego poczatkowego wyboru centroidow uniezalezniajac sie (do pewnego stopnia) od wplywu losowania.

Created: 2011-05-11 | Last updated: 2013-08-19

MDES simple execution (2)

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workflow to query MDES, obtaining the DES results and from it extracting the VOTable and the PNG plot for the time range queried.

Created: 2011-03-02 | Last updated: 2014-03-12

Credits: Anja Le Blanc

Extract content of columns from VOTables (3)

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Extracts all values from all columns which are passed from the input ColumnNames

Created: 2011-02-24 | Last updated: 2012-08-20

Credits: Anja Le Blanc

EMBL-EBI ClustalW2_SOAP (2)

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Perform a ClustalW2 alignment of protein sequences using the EMBL-EBI’s ClustalW2 (SOAP) service (see http://www.ebi.ac.uk/Tools/webservices/services/msa/clustalw2_soap). This workflow uses the new EBI services, which are asynchronous and require looping over the nested workflow (Status) until the workflow has finished. Many of the EBI services now work in this way, so you can use this workflow as an example of the invocation pattern and looping configuration.

Created: 2011-01-17 | Last updated: 2013-01-30

Credits: Katy Wolstencroft Hamish McWilliam

Attributions: EMBL-EBI ClustalW2 (SOAP) EBI_ClustalW2

Weka Clustering With Silhouette Analysis A... (2)

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This workflow clusters given QSAR CSV file and performs a silhouette analysis which is visualised in a PDF file. The QSAR data is loaded from a CSV file and converted into a Weka dataset. After that the data is clustered and the results are visualised in a PDF file.

Created: 2011-01-13 | Last updated: 2011-07-21