Workflows

KEIO Bioinformatics Web Service - a genera... (2)

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This workflow generates a sequence logo image for a set of amino acid sequences of FOXP2 gene, by downloading the amino acid sequences in Fasta format through Togo Web Service with UniProt identifiers (togoWS, provided by the G-language Genome Analysis Environment SOAP Service), running BLAST web service (runBLAST), retrieving a set of sequences from ID list (togoWS), aligning the sequence with MUSCLE (runMUSCLE), extracting a certain region from the alignment (extractalign, provided by Soapl...

Created: 2010-08-13 | Last updated: 2010-11-19

Credits: cory (Kazuki Oshita)

Visualize the boiling point data from the ... (1)

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 Downloads the RDF data from a HTML page, extracts the boiling point data, calculates atom counts from SMILES representations, and opens the data in a matrix editor, ready to be visualized in a scatter plot.

Created: 2010-08-10 | Last updated: 2010-08-10

Credits: Egon Willighagen

Generate CombiUgi library (1)

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Generates a CombiUgi library using data from a Goolgle spreadsheet containing smiles strings of compounds to undergo virtual Ugi reactions

Created: 2010-08-10 | Last updated: 2010-08-10

Credits: Peter Li Romney

Predict Abraham descriptors (1)

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Predicts descriptor values using a model derived from a linear regression analysis of the Open Notebook Science solubility data and literature values. The workflow returns all the Abraham descriptors E, S, A, B and V in a HTML file.Predicts descriptor values using a model derived from a linear regression analysis of the Open Notebook Science solubility data and literature values

Created: 2010-08-05 | Last updated: 2010-08-05

Credits: Peter Li

AUTOSTRUCTURE (4)

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This is a simple workflow designed to run AUTOSTRUCTURE with an user selected input. The code is a full implementation of the program AUTOSTRUCTURE developed by N. R. Badnell. The entire capability of the original program for arbitrary structure, Auger rate and Radiative rate calculation has been retained. However input driver file selection, driver templates, output selection and output routing have been enabled within the ADAS framework to simplify the production of two types of data, name...

Created: 2010-08-04 | Last updated: 2011-02-27

Count the number of MetaPrint2D predicted ... (1)

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 MetaPrint2D (doi: 10.1186/1471-2105-11-362) is used to calculate the number of red, orange, and green markers that indicate how likely an atom in the drug is metabolized (read the paper for the fine prints). It counts them for each molecule and reports them, as a set of three molecular descriptors that could potentially correlate with how well the molecule is metabolized (hypothesis).

Created: 2010-08-04 | Last updated: 2010-08-04

Credits: Egon Willighagen

Create an OpenTox API dataset and add mole... (2)

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 Bioclipse script that creates a data set  at an OpenTox API capable server, and adds molecules to it.

Created: 2010-08-04 | Last updated: 2010-11-13

Credits: Egon Willighagen

Predict chemical solubility in solvents (2)

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Predicts solubility in molar units for a given chemical compound represented as a SMILES string in a given solvent. Uses a beanshell script to enable the user to select the solvent from a list.

Created: 2010-08-04 | Last updated: 2010-08-04

Credits: Peter Li

Call VSO web service with HELIO input data (1)

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  date transformation from 2000-10-02T23:00:00 to 20001002230000 HELIO instrument names as in http://helio-dev.i4ds.ch/xsd/instruments.xsd spitt into source and instrument names; if these pair don't exist only first part (source) is tried.

Created: 2010-08-04 | Last updated: 2010-08-04

Credits: Anja Le Blanc

Connect to twitter and analyze the key words (1)

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Hi All, This workflow connects RapidMiner to Twitter and downloads the timeline. It then creates a wordlist from the tweets and breaks them into key words that are mentioned in the tweets. You can then visualize the key words mentioned in the tweets. This workflow can be further modified to review various key events that have been talked about in the twitterland. Do let me know your feedback and feel free to ask me any questions that you may have. Shaily web: http://advanced-analyti...

Created: 2010-07-26 | Last updated: 2010-07-26