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Hi @psterk -that's a good catch! Thanks. I don't know how FDAMDD got up there... but this has just been fixed in 79f94e0 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.
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.
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