get_count_fingerprint_mask: Calculate mask to exclude molecular counting fingerpints

In bachi55/rcdkTools: rcdkTools

Description

Calculate mask to exclude molecular counting fingerpints

Usage

get_count_fingerprint_mask(count_fps, remove_single_value = TRUE,
  remove_low_abundant = TRUE, low_abundance_thsd = 0.25)

Arguments

remove_single_value	binary, exclude fps with always the same value
remove_low_abundant	binary, exclude fps with low abundance, i.e. they appear only in a few molecule examples.
low_abundance_thsd	scalar, threshold for being a low abundant fp. (default = 0.25, fp must be present in at least 25% of the examples to be not removed.)
fps	scalar matrix, shape (n_samples x n_fingerprints), e.g. the output of fingerprints_to_matrix.

Value

binary vector (1 x n_fingerpints):

• TRUE: keep fingerprint

• FALSE: exclude fingerprint

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