.Rhistory


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install.packages("chents")
library(chents)
atrazine <- pai.new("atrazine")
atra <- pai$new("atrazine")
atra
atra$mw
library(units)
as_unit("3 g/mol")
as_units(3, g/mol)
as_units(3, "g/mol")
cym <- pai$new("cymoxanil")
cym
py_install("rdkit")
reticulate::py_install("rdkit")
cym <- pai$new("cymoxanil")
library(reticulate)
py_install("rdkit")
rdkit <- py_import(rdkit)
rdkit <- import("rdkit")
rdkit
chent$new("isopropanol")