Error in documentation - Githubissues

nanxstats / Rcpi

💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery

https://nanx.me/Rcpi/

Artistic License 2.0

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Error in documentation #6

Closed psterk closed 5 years ago

psterk commented 5 years ago

In the documentation, under 3.1 Regression Modeling in QSRR Study of Retention Indices

There appears to be an error in the following code:

library("Rcpi")

RI.smi = system.file( "vignettedata/FDAMDD.smi", package = "Rcpi") RI.csv = system.file( "vignettedata/RI.csv", package = "Rcpi")

Shouldn't the first file to be loaded be RI.smi instead of FDAMDD.smi? The train step does not work otherwise.

Best wishes.

nanxstats commented 5 years ago

Hi @psterk -that's a good catch! Thanks. I don't know how FDAMDD got up there... but this has just been fixed in https://github.com/road2stat/Rcpi/commit/79f94e06f88bf31282150bfb20269f4f954b51b7 and the docs site is updated.

You're welcome to try the GitHub version. I also push the new version to Bioconductor release/devel, and it may take a day or two for it to be available there.