fp_erg: Compute extended reduced graphs fingerprints derived from the...
In nanxstats/tidychem: Tidy Chemical Data
fp_erg R Documentation
Compute extended reduced graphs fingerprints derived from the ErG fingerprint
Description
Compute extended reduced graphs fingerprints derived from the ErG fingerprint
Usage
fp_erg(mols)
Arguments
mols
A tidymol object.
Examples
mol <- parse_smiles("Cc1ccccc1")
mols <- read_smiles(tidychem_example("smi-multiple.smi"))
fp_erg(mol)
fp_erg(mols)
nanxstats/tidychem documentation built on Sept. 16, 2024, 9:32 a.m.
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| fp_erg | R Documentation |
Compute extended reduced graphs fingerprints derived from the ErG fingerprint
Description
Compute extended reduced graphs fingerprints derived from the ErG fingerprint
Usage
fp_erg(mols)
Arguments
mols |
A |
Examples
mol <- parse_smiles("Cc1ccccc1")
mols <- read_smiles(tidychem_example("smi-multiple.smi"))
fp_erg(mol)
fp_erg(mols)
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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