Description Usage Arguments Value Examples
Keep in matrix only rows and columns corresponding to compounds possessing values of certain property
1 | mdb_keep_matr_with_prop(matr, mdb, prop_to_keep)
|
matr |
Matrix to be changed |
mdb |
Molecular database |
prop_to_keep |
Property that should be specified in all compounds of the returned molecular database |
Matrix after change
1 2 3 | data("alkans74")
matr <- matrix(0, nrow=74, ncol=74)
mdb_keep_matr_with_prop(matr, alkans74.mdb, "mp")
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