db.subset {ChemmineR} | R Documentation |
'db.subset' will take a descriptor database generated by 'cmp.parse' and an
array of indecies, and return a new database for compounds
corresponding to these indecies. The returned value is a descriptor database as returned by the cmp.parse
function.
db.subset(db, cmps)
db |
The database generated by 'cmp.parse' |
cmps |
An array of indecies that correspond to a set of selected compounds from the database |
'db.subset' creates a sub-database from 'db' by only including infomration that is relevant to compounds indexed by 'cmps'.
Return a descriptor database for the selected compounds. The format of the database is compatible with the one returned by cmp.parse
.
# load sample database from web db <- cmp.parse("http://bioweb.ucr.edu/ChemMineV2/static/example_db.sdf") # create a sub-database for the 1st and 2nd compound in that SDF db_new <- db.subset(db, c(1, 2))