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Items tagged with "curation" (18)

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Workflows (6)

Taverna 2 Original Uploader Kalai	Generate Atom Signatures of molecules given SDF as input (v1) Created: 13/05/11 @ 17:14:06 \| Last updated: 13/05/11 @ 19:47:24 Credits: Kalai License: Creative Commons Attribution-Share Alike 3.0 Unported License Reference: Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries Peter Ertl,* Silvio Roggo, and Ansgar Schuffenhauer Novartis Institutes for BioMedical Research, CH-4002 Basel, Switzerland http://peter-ertl.com/reprints/Ertl-JCIM-48-68-2008.pdf The natural product likeness scorer implemented by Peter Ertl was originally devised to screen large compound libraries for natural product likeness in drug designing studies. His work is re... Rating: 0.0 / 5 (0 ratings) \| Versions: 1 \| Reviews: 0 \| Comments: 0 \| Citations: 0 Viewed: 46 times \| Downloaded: 19 times Tags (22): bioinformatics \| cdk \| cdk-taverna \| chemoinformatics \| compound \| curation \| drug \| ebi \| example \| filter \| filtering \| metabolism \| metabolite-likeness \| metabolomics \| natural \| open science \| open source \| re-use \| synthetic \| taverna 2 \| workflow \| workflows	View Download (v1)
Taverna 2 Original Uploader Kalai	Scoring small molecules for metabolite likeness/ Natural product likeness (v2) Created: 13/05/11 @ 17:22:28 \| Last updated: 18/03/12 @ 16:41:39 Credits: Kalai License: Creative Commons Attribution-Share Alike 3.0 Unported License 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... Rating: 0.0 / 5 (0 ratings) \| Versions: 2 \| Reviews: 0 \| Comments: 0 \| Citations: 0 Viewed: 66 times \| Downloaded: 16 times Tags (22): bioinformatics \| cdk \| cdk-taverna \| chemoinformatics \| compound \| curation \| drug \| ebi \| example \| filter \| filtering \| metabolism \| metabolite-likeness \| metabolomics \| natural \| open science \| open source \| re-use \| structure \| synthetic \| workflow \| workflows	View Download (v2)
Taverna 2 Original Uploader Kalai	Plotting distribution of natural product likeness scores (v1) Created: 13/05/11 @ 17:34:58 \| Last updated: 13/05/11 @ 17:35:08 Credits: Kalai License: Creative Commons Attribution-Share Alike 3.0 Unported License Prerequisite: CDK -Taverna Plugin 0.5.1 http://www.ts-concepts.de/cdk-taverna2/plugin/ - To run this workflow you need a Score file which is written to text file. - This could be generated from ScorerActivity.t2flow http://www.myexperiment.org/workflows/2121/download?version=1 Description of input ports : score_file: Path to file name that has pre computed scores. Note: While passing file as input it could be passed as list of many files or single fi... Rating: 0.0 / 5 (0 ratings) \| Versions: 1 \| Reviews: 0 \| Comments: 0 \| Citations: 0 Viewed: 31 times \| Downloaded: 13 times Tags (24): bioinformatics \| cdk \| cdk-taverna \| chemoinformatics \| compound \| curation \| drug \| ebi \| example \| filter \| filtering \| metabolism \| metabolite-likeness \| metabolomics \| natural \| open science \| open source \| plot \| re-use \| structure \| synthetic \| taverna2 \| workflow \| workflows	View Download (v1)
Taverna 2 Original Uploader Susana	Comparison and update values (v1) Created: 30/11/11 @ 16:53:51 \| Last updated: 30/11/11 @ 16:53:52 License: Creative Commons Attribution-Noncommercial-Share Alike 3.0 Unported License This workflow receives two files, the name of a table and the name of a field as input. One of the file should be contain a list of old values (name galaxy and value), and the other one should be a list of new values (name galaxy,value) The workflow makes a comparison between the two files. This comparison will be a list of 7 columns: name of the galaxy, old value, old error, new value, new error, difference of value, difference of error. In other hand, this workflow makes a sql script with ... Rating: 0.0 / 5 (0 ratings) \| Versions: 1 \| Reviews: 0 \| Comments: 0 \| Citations: 0 Viewed: 15 times \| Downloaded: 6 times Tags (5): astronomy \| curation \| database storing \| galaxies \| hyperleda	View Download (v1)
Taverna 2 Original Uploader Susana	Calculation of distances, magnitutes and luminosities using HyperLEDA (v4) Created: 14/11/11 @ 18:17:06 \| Last updated: 11/01/12 @ 18:11:57 License: Creative Commons Attribution-Noncommercial-Share Alike 3.0 Unported License Calculation of distances, corrected apparent B magnitude mB-corr and luminosities with values gathered from the HyperLEDA database. This workflow receives a list of galaxy names (hyperLEDA names. ie: KIG0001) and a file with the morphological types of those galaxies Using the name of a galaxy, the workflow querys Hyperleda to extract some properties of this galaxy (J2000 Coordinates, velocity, galactic extinction,log of axis ratio, and the Total B-magnitude ). With this properties it calcula... Rating: 0.0 / 5 (0 ratings) \| Versions: 4 \| Reviews: 0 \| Comments: 0 \| Citations: 0 Viewed: 31 times \| Downloaded: 6 times Tags (5): astronomy \| curation \| database storing \| galaxies \| hyperleda	View Download (v4)
Taverna 2 Original Uploader Stian Soiland-Reyes	Calculation of distances, magnitutes and luminosities using HyperLEDA (v2) Created: 10/01/12 @ 11:01:26 \| Last updated: 16/01/12 @ 14:01:32 Credits: Stian Soiland-Reyes Attributions: Calculation of distances, magnitutes and luminosities using HyperLEDA Data involved in RO Propagation of quantities Scripts in RO Propagation of quantites License: Creative Commons Attribution-Share Alike 3.0 Unported License Calculation of distances, corrected apparent B magnitude mB-corr and luminosities with values gathered from the HyperLEDA database. This workflow receives a list of galaxy names (hyperLEDA names. ie: KIG0001) and a file with the morphological types of those galaxies Using the name of a galaxy, the workflow querys Hyperleda to extract some properties of this galaxy (J2000 Coordinates, velocity, galactic extinction,log of axis ratio, and the Total B-magnitude ). With this properties it calcula... Rating: 0.0 / 5 (0 ratings) \| Versions: 2 \| Reviews: 0 \| Comments: 0 \| Citations: 0 Viewed: 8 times \| Downloaded: 7 times Tags (5): astronomy \| curation \| database storing \| galaxies \| hyperleda	View Download (v2)

Packs (4)

Creator: David De Roure	Carole's Keynotes Created: 27/09/08 @ 19:52:17 \| Last updated: 08/05/10 @ 20:24:47 Carole Goble's 2008 keynote talks that feature myExperiment, in PowerPoint 97-2003 format. All myExperiment presentation can be found on the wiki on http://wiki.myexperiment.org/index.php/Presentations 5 items in this pack Comments: 0 \| Viewed: 108 times \| Downloaded: 27 times Tags: biocatalogue \| community curation \| curation \| myexperiment \| mygrid \| open science \| science 2.0 \| scientific workflow \| taverna	View Download
Creator: David De Roure	myExperiment paper for Concurrency Practice and Experience eScience 2008 Special Issue Created: 10/04/09 @ 13:41:56 \| Last updated: 14/04/09 @ 08:38:09 This pack contains the materials used in the paper De Roure, D., Goble, C., Aleksejevs, S., Bechhofer, S., Bhagat, J., Cruickshank, D., Fisher, P., Hull, D., Michaelides, D., Newman, D., Procter, R., Lin, Y. and Poschen, M. (2009) Towards Open Science: The myExperiment approach. Concurrency and Computation: Practice and Experience. which has been submitted to the special issue of CCPE based on the Micorosfot e-Science workshop in Indianaopolis, December 2008. The paper uses a pack by Pail ... 8 items in this pack Comments: 1 \| Viewed: 60 times \| Downloaded: 16 times Tags: curation \| myexperiment \| semantic web \| web 2	View Download
Creator: Kalai	Natural product likeness filter Created: 13/05/11 @ 19:35:39 \| Last updated: 29/08/11 @ 14:25:47 Reference: Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries Peter Ertl,* Silvio Roggo, and Ansgar Schuffenhauer Novartis Institutes for BioMedical Research, CH-4002 Basel, Switzerland http://peter-ertl.com/reprints/Ertl-JCIM-48-68-2008.pdf The natural product likeness scorer implemented by Peter Ertl was originally devised to screen large compound libraries for natural product likeness in drug designing studies. His work... 3 items in this pack Comments: 0 \| Viewed: 34 times \| Downloaded: 18 times Tags: bioinformatics \| cdk \| cdk-taverna \| chemoinformatics \| compound \| curation \| drug \| ebi \| example \| filter \| filtering \| metabolism \| metabolite-likeness \| metabolomics \| natural \| open science \| open source \| plot \| re-use \| structure \| synthetic \| taverna 2 \| taverna2 \| workflow \| workflows	View Download
Creator: Jose Enrique Ruiz	Propagation of properties extracted from the HyperLEDA catalog in the calculation of luminosities of galaxies Created: 24/11/11 @ 19:12:05 \| Last updated: 01/12/11 @ 22:13:34 The scientific experiment represented by this research object pertains to the multi-wavelength study for a sample of the most isolated galaxies in the local universe. This study characterizes each galaxy of this sample through both the measurement of basic astrophysical properties: - The equatorial coordinates in J2000 epoch - The velocities in km/s (v) - The dust extinction coefficient (ag) - The axis ratio of the isophote 25 mag/arcsec2 (logr25) - The apparent total B magnitude (BT) ... 12 items in this pack Comments: 0 \| Viewed: 19 times \| Downloaded: 7 times Tags: astronomy \| curation \| database storing \| galaxies \| hyperleda \| virtual observatory	View Download

Files (8)

Uploader: Jose Enrique Ruiz	Content description of RO Propagation of quantities Created: 25/11/11 @ 09:29:26 \| Last updated: 01/12/11 @ 13:26:42 Credits: Jose Enrique Ruiz License: Creative Commons Attribution-Share Alike 3.0 Unported License Content description of the Research Object "Propagation of properties extracted from the HyperLEDA catalog in the calculation of luminosities of galaxies" developed in the Wf4Ever project. File type: Plain text Rating: 0.0 / 5 (0 ratings) \| Comments: 0 \| Viewed: 2 times \| Downloaded: 1 time Tags: astronomy \| curation \| database storing \| galaxies \| hyperleda	View Download
Uploader: Jose Enrique Ruiz	Purpose of RO Propagation of quantities Created: 25/11/11 @ 09:33:29 \| Last updated: 01/12/11 @ 13:27:32 Credits: Jose Enrique Ruiz License: Creative Commons Attribution-Share Alike 3.0 Unported License Description of purpose of the Research Object "Propagation of properties extracted from the HyperLEDA catalog in the calculation of luminosities of galaxies" developed in the Wf4Ever project. File type: Plain text Rating: 0.0 / 5 (0 ratings) \| Comments: 0 \| Viewed: 5 times \| Downloaded: 2 times Tags: astronomy \| curation \| database storing \| galaxies \| hyperleda	View Download
Uploader: Jose Enrique Ruiz	Data involved in RO Propagation of quantities Created: 01/12/11 @ 13:16:59 \| Last updated: 01/12/11 @ 13:17:02 Credits: Jose Enrique Ruiz License: Creative Commons Attribution-Share Alike 3.0 Unported License No description File type: application/x-zip-compressed Rating: 0.0 / 5 (0 ratings) \| Comments: 0 \| Viewed: 6 times \| Downloaded: 4 times Tags: astronomy \| curation \| database storing \| galaxies \| hyperleda	View Download
Uploader: Jose Enrique Ruiz	Bibliographic references in RO Propagation of quantities Created: 01/12/11 @ 13:20:13 \| Last updated: 01/12/11 @ 13:20:17 Credits: Jose Enrique Ruiz License: Creative Commons Attribution-Share Alike 3.0 Unported License No description File type: application/x-zip-compressed Rating: 0.0 / 5 (0 ratings) \| Comments: 0 \| Viewed: 2 times \| Downloaded: 1 time Tags: astronomy \| curation \| database storing \| galaxies \| hyperleda	View Download
Uploader: Jose Enrique Ruiz	Scripts in RO Propagation of quantites Created: 01/12/11 @ 13:21:37 \| Last updated: 01/12/11 @ 13:23:17 Credits: Jose Enrique Ruiz License: Creative Commons Attribution-Share Alike 3.0 Unported License Python scripts used as local services in the workflows contained in RO Propagation of quantites. File type: application/x-zip-compressed Rating: 0.0 / 5 (0 ratings) \| Comments: 0 \| Viewed: 3 times \| Downloaded: 1 time Tags: astronomy \| curation \| database storing \| galaxies \| hyperleda	View Download
Uploader: Jose Enrique Ruiz	SQL scripts issued from RO Propagation of quantities Created: 01/12/11 @ 13:22:35 \| Last updated: 01/12/11 @ 13:22:36 Credits: Jose Enrique Ruiz License: Creative Commons Attribution-Share Alike 3.0 Unported License No description File type: application/x-zip-compressed Rating: 0.0 / 5 (0 ratings) \| Comments: 0 \| Viewed: 1 time \| Downloaded: 1 time Tags: astronomy \| curation \| database storing \| galaxies \| hyperleda	View Download
Uploader: Jose Enrique Ruiz	How to use RO Propagation of quantities Created: 25/11/11 @ 09:31:50 \| Last updated: 01/12/11 @ 13:25:56 Credits: Jose Enrique Ruiz License: Creative Commons Attribution-Share Alike 3.0 Unported License Recipes explaining how to use the Research Object "Propagation of properties extracted from the HyperLEDA catalog in the calculation of luminosities of galaxies" developed in the Wf4Ever project File type: Plain text Rating: 0.0 / 5 (0 ratings) \| Comments: 0 \| Viewed: 4 times \| Downloaded: 2 times Tags: astronomy \| curation \| database storing \| galaxies \| hyperleda	View Download
Uploader: Jose Enrique Ruiz	D5.3v1: Propagation of interdependent quantities in the calculation of luminosities of galaxies Created: 01/12/11 @ 22:12:58 \| Last updated: 01/12/11 @ 22:13:01 Credits: Jose Enrique Ruiz License: Creative Commons Attribution-Share Alike 3.0 Unported License This document describes the development of the first Golden Exemplar proposed in Work Package 5: Workflow Astronomy Preservation in the context of the Wf4Ever Project. It pertains to the deployment of a Research Object (RO) associated to the study of the propagation of astrophysical quantities in the calculation of luminosities of galaxies. File type: Adobe PDF Rating: 0.0 / 5 (0 ratings) \| Comments: 0 \| Viewed: 3 times \| Downloaded: 2 times Tags: astronomy \| curation \| database storing \| galaxies \| hyperleda	View Download

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