process.sdf.file: Process SDF File to retrieve tags and properties
In schymane/ReSOLUTION: SOLUTIONS for High ReSOLUTION Mass Spectrometry
Description
Usage
Arguments
Value
Author(s)
See Also
Examples
Description
This parses an SDF file and retrieves information used to select relevant to MetFrag
scoring terms from CompTox Dashboard Export files. Used within CompToxSDFtoLocalSDFterms.
Usage
1
process.sdf.file(SDF_file)
Arguments
SDF_file
Full path and file name to SDF file
Value
This returns a set of SDF tags and information whether values are numeric or not
Author(s)
Christoph Ruttkies, Emma Schymanski <emma.schymanski@uni.lu>
See Also
Examples
1
2
CompToxSDF <- system.file("extdata","CompToxBatchSearch_MetFrag_MSready_C10H14N2.sdf",package="ReSOLUTION")
process.sdf.file(CompToxSDF)
schymane/ReSOLUTION documentation built on May 22, 2021, 3:41 a.m.
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Description Usage Arguments Value Author(s) See Also Examples
Description
This parses an SDF file and retrieves information used to select relevant to MetFrag
scoring terms from CompTox Dashboard Export files. Used within CompToxSDFtoLocalSDFterms.
Usage
1 | process.sdf.file(SDF_file)
|
Arguments
SDF_file |
Full path and file name to SDF file |
Value
This returns a set of SDF tags and information whether values are numeric or not
Author(s)
Christoph Ruttkies, Emma Schymanski <emma.schymanski@uni.lu>
See Also
Examples
1 2 | CompToxSDF <- system.file("extdata","CompToxBatchSearch_MetFrag_MSready_C10H14N2.sdf",package="ReSOLUTION")
process.sdf.file(CompToxSDF)
|
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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