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eduardszoecs avatar eduardszoecs commented on July 18, 2024

Thanks for reporting this!
Isomers, are always not easy to handle...
Will investigate....

from webchem.

eduardszoecs avatar eduardszoecs commented on July 18, 2024

This is a case when there are multiple links on the webpage.
Should be fixed now,
Please check/use/test the current version on the master branch (next cran release is planned for next year):

install.packages("devtools")
library("devtools")
install_github("ropensci/webchem")

With the new version we get:

> require(webchem)
> alanwood("S-Metolachlor", type = "commonname")$inchikey

# More then one link found! Returning first.
# 
# Querying s-metolachlor.html
# [1] "major component (S)-isomer:WVQBLGZPHOPPFO-LBPRGKRZSA-Nminor component (R)-isomer:WVQBLGZPHOPPFO-GFCCVEGCSA-N"

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jranke avatar jranke commented on July 18, 2024

@Edild I confirm this is better. What would you think about returning a vector of two INCHI keys, named with the isomer description ("major component (S)-isomer")?

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eduardszoecs avatar eduardszoecs commented on July 18, 2024

Good idea, I opened a new issue #42.

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