Keep in matrix only rows and columns corresponding to compounds possessing values of certain property

Description

Keep in matrix only rows and columns corresponding to compounds possessing values of certain property

Usage

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mdb_keep_matr_with_prop(matr, mdb, prop_to_keep)

Arguments

matr

Matrix to be changed

mdb

Molecular database

prop_to_keep

Property that should be specified in all compounds of the returned molecular database

Value

Matrix after change

Examples

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data("alkans74")
matr <- matrix(0, nrow=74, ncol=74)
mdb_keep_matr_with_prop(matr, alkans74.mdb, "mp")

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