AP_sim2comp: Structure Similarity between two new compound
In Elisa89m/PDSP: Phenotypic Drug Similarity Prediction
Description
Usage
Arguments
Value
Description
Compute the structure similarity score between the selected compound and the compounds of CMAP
Usage
1
AP_sim2comp(apset_compA, apset_compB)
Arguments
apset_compA
APset object containing the Atom Pair descriptors of new compound
apset_compB
APset object containing the Atom Pair descriptors of new compound
Value
data.frame containing the similarity score between two selected compounds
Elisa89m/PDSP documentation built on May 30, 2019, 1:26 p.m.
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Description Usage Arguments Value
Description
Compute the structure similarity score between the selected compound and the compounds of CMAP
Usage
1 | AP_sim2comp(apset_compA, apset_compB)
|
Arguments
apset_compA |
APset object containing the Atom Pair descriptors of new compound |
apset_compB |
APset object containing the Atom Pair descriptors of new compound |
Value
data.frame containing the similarity score between two selected compounds
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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