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tidychem
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Reference
Articles
Calculate chemical descriptors with tidychem
Calculate chemical fingerprints with tidychem
Install RDKit and tidychem
Load, parse, and write chemical data with tidychem
Molecule operations with tidychem
Changelog
Molecule operations with tidychem
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