extract_features_QSAR {peptoolkit}

Extract QSAR Features from Peptide Sequences

Description

This function extracts various Quantitative Structure-Activity Relationship (QSAR) features from peptide sequences. The extraction is based on a variety of amino acid properties and functions from the "Peptides" package (https://github.com/dosorio/Peptides/).

Usage

extract_features_QSAR(
  n,
  pH = 7.4,
  custom.list = FALSE,
  PeList = NULL,
  rem.cys = FALSE,
  rem.met = FALSE,
  rem.sali = FALSE,
  norm = FALSE
)

Arguments

n

The length of the peptide sequences.Must be more than 2.

pH

The pH used for calculating charge (default is 7.4).

custom.list

A boolean indicating if a custom peptide list is provided (default is FALSE).

PeList

The custom list of peptides (required if custom.list is TRUE).

rem.cys

A boolean indicating if sequences with Cys should be removed (default is FALSE).

rem.met

A boolean indicating if sequences with Met should be removed (default is FALSE).

rem.sali

A boolean indicating if sequences with 2 or more small aliphatic amino acids should be removed (default is FALSE).

norm

A boolean indicating if the data should be normalized (default is FALSE).

Value

A dataframe with the calculated peptide properties.

Examples

extract_features_QSAR(n = 3, custom.list = TRUE, PeList = c('ACA', 'ADE'))