View source: R/function_chemspace.R
chem.space | R Documentation |
Extract information from msp file downloaded from MoNA
chem.space(db_rt, target, title = "")
db_rt |
A user library dataframe with chemical descriptors calculated |
target |
Target database to be compared. Choice between: "ALL", "HMDB", "KNAPSACK", "CHEBI", "DRUGBANK", "SMPDB", "YMDB", "T3DB", "FOODB", "NANPDB", "STOFF", "BMDB", "LIPIDMAPS", "URINE", "SALIVA", "FECES", "ECMDB", "CSF", "SERUM", "PUBCHEM.1", "PLANTCYC", "UNPD", "BLEXP", "NPA", "COCONUT" |
title |
A title for the plot. Example: Plasma - HMDB |
plot chemical space between user library and target database
chem.space(db_rt,t="HMDB")
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