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tidychem
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Reference
Articles
Calculate chemical descriptors
Calculate chemical fingerprints
Load, parse, and write chemical data
Molecule operations
Changelog
Molecule operations
Nan Xiao <
https://nanx.me
>
Source:
vignettes/tidychem-misc.Rmd
tidychem-misc.Rmd
library
(
"tidychem"
)
Basic information of molecules
Modify molecules
Add hydrogen
Kekulize
Substructure Searching
Maximum Common Substructure
Draw molecules
Similarity maps