getCPI: Generating Compound-Protein Interaction Descriptors

In nanxstats/Rcpi: Molecular Informatics Toolkit for Compound-Protein Interaction in Drug Discovery

Generating Compound-Protein Interaction Descriptors

Description

Generating Compound-Protein Interaction Descriptors

Usage

getCPI(drugmat, protmat, type = c("combine", "tensorprod"))

Arguments

drugmat	The compound descriptor matrix.
protmat	The protein descriptor matrix.
type	The interaction type, one or two of "combine" and "tensorprod".

Details

This function calculates the compound-protein interaction descriptors by three types of interaction:

• combine - combine the two descriptor matrix, result has (p1 + p2) columns

• tensorprod - calculate column-by-column (pseudo)-tensor product type interactions, result has (p1 * p2) columns

Value

A matrix containing the compound-protein interaction descriptors

See Also

See getPPI for generating protein-protein interaction descriptors.

Examples

x = matrix(1:10, ncol = 2)
y = matrix(1:15, ncol = 3)

getCPI(x, y, 'combine')
getCPI(x, y, 'tensorprod')
getCPI(x, y, type = c('combine', 'tensorprod'))
getCPI(x, y, type = c('tensorprod', 'combine'))

nanxstats/Rcpi documentation built on Sept. 24, 2024, 9:36 a.m.