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ChemGPS-NP Web - Batch Job Queue Manager

A tool tuned for navigation in biologically relevant chemical space. Submit data for processing:. Uploaded molecules might be used or published later. By the system owner. Maximum number of uploaded molecules per job. Is 8000, see help. Of uploaded data is 1024 kB. The uploaded job gets queued for execution and can be monitored in the job queue. If you use this application in a publication, please cite: Larsson J,. Gottfries J, Muresan S, Backlund A. J Nat Prod. 2007;70(5):789-794, and.

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ChemGPS-NP Web - Batch Job Queue Manager | chemgps.bmc.uu.se Reviews
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A tool tuned for navigation in biologically relevant chemical space. Submit data for processing:. Uploaded molecules might be used or published later. By the system owner. Maximum number of uploaded molecules per job. Is 8000, see help. Of uploaded data is 1024 kB. The uploaded job gets queued for execution and can be monitored in the job queue. If you use this application in a publication, please cite: Larsson J,. Gottfries J, Muresan S, Backlund A. J Nat Prod. 2007;70(5):789-794, and.
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2 job queue
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6 show queue
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ChemGPS-NP Web - Batch Job Queue Manager | chemgps.bmc.uu.se Reviews

https://chemgps.bmc.uu.se

A tool tuned for navigation in biologically relevant chemical space. Submit data for processing:. Uploaded molecules might be used or published later. By the system owner. Maximum number of uploaded molecules per job. Is 8000, see help. Of uploaded data is 1024 kB. The uploaded job gets queued for execution and can be monitored in the job queue. If you use this application in a publication, please cite: Larsson J,. Gottfries J, Muresan S, Backlund A. J Nat Prod. 2007;70(5):789-794, and.

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chemgps.bmc.uu.se chemgps.bmc.uu.se
1

ChemGPS-NP Web - Help

http://chemgps.bmc.uu.se/batchelor/help.php

A tool tuned for navigation in biologically relevant chemical space. Instructions for using the ChemGPS-NP web tool:. Upload and submit a correct SMILES-file with a maximum of 8000 compounds (any IDs should sit to the right of the smiles string) using the buttons Browse. and Send File. You can alternatively paste your SMILES in the Process data drop box and submit by clicking Send Data. Switch between these two submit modes by clicking on the switch link next to the up/down arrow.

2

ChemGPS-NP Web - About

http://chemgps.bmc.uu.se/batchelor/about.php

A tool tuned for navigation in biologically relevant chemical space. ChemGPS-NP is a principal component analysis (PCA) based global space map or a chemical global positioning system. For more information about ChemGPS-NP, read the original publication:. Larsson J, Gottfries J, Muresan S, Backlund A. ChemGPS-NP: tuned for navigation in biologically relevant chemical space. J Nat Prod. 2007;70(5):789-794.

3

ChemGPS-NP Web - Publish Jobs

http://chemgps.bmc.uu.se/batchelor/publish.php

A tool tuned for navigation in biologically relevant chemical space. Chemical space of natnatimal CAD with ChemGPS-NP.

4

ChemGPS-NP Web - System Statistics - Total

http://chemgps.bmc.uu.se/batchelor/statistics.php

A tool tuned for navigation in biologically relevant chemical space. Statistics by year: 2008. The number of processed molecules for the system uptime was 7286268 totally. 7010426 where accepted (predicted) and 275842 where rejected (malformed). The total number of submitted jobs are 8453 for the system uptime. On average each job took 4486.0 seconds. To complete (from submitted until it finished execute). Each job took between 0. Seconds to complete (min/max). Totally 8364 jobs was finished.

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Batchelor - Introduction

http://it.bmc.uu.se/andlov/proj/batchelor

Batchelor - batch job queue manager. Do you have standalone applications that you like to make available for use over the web? Then Batchelor might be a solution for you! Batchelor is a batch queue manager allows jobs with long run times to be submitted to the web server and scheduled for later execution by its batch queue. Think of it as an hosting service for standalone program, making them available for use over the web. Easy to install, extend and adapt. No database is required. The web service API i...

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ChemGPS-NP Web - Batch Job Queue Manager

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