fingerprints_to_matrix: Construct a fingerprint matrix

In bachi55/rcdkTools: rcdkTools

Description

List of fingerprint objects to matrix.

Usage

fingerprints_to_matrix(fps, is_hashed = FALSE, sort_hash_keys = FALSE,
  add_colnames = FALSE)

Arguments

fps	list of fingerprint objects (1 x n_samples)
is_hashed	boolean, indicating whether the provided fingerprints are hashed fingerprints, i.e. fps dimension might be different and direct matching of the dimensions is not possible.
sort_hash_keys	boolean, indicating whether the hash keys should be sorted (using sort), i.e. the columns of the fingerprints matrix will be sorted.
add_colnames	boolean, indicating whether the hash keys should be added as column-names to the output matrix.

Value

fingerprint matrix (n_samples x n_fingerprints)

bachi55/rcdkTools documentation built on Nov. 3, 2019, 2:06 p.m.