get.cmp.sim: Retrive similar compounds from ChEMBL database.
In abhik1368/rUniChEMBL: Accessing the ChEMBL and Unichem data.
Description
Usage
Arguments
Details
Description
This function retrieves a dataframe of similar compounds
from ChEMBL database given a smiles string as query and also given a similarity score above 70.
Usage
1
get.cmp.sim(mol, sim = 70)
Arguments
mol
: String representing smiles of the moelcule
sim
: Integer representing for percentage of similarity
for the query compound and the database molecules. Values ranges
from 70 to 100.
Details
get.cmp.sim
abhik1368/rUniChEMBL documentation built on May 10, 2019, 4:10 a.m.
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Description Usage Arguments Details
Description
This function retrieves a dataframe of similar compounds from ChEMBL database given a smiles string as query and also given a similarity score above 70.
Usage
1 | get.cmp.sim(mol, sim = 70)
|
Arguments
mol |
: String representing smiles of the moelcule |
sim |
: Integer representing for percentage of similarity for the query compound and the database molecules. Values ranges from 70 to 100. |
Details
get.cmp.sim
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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