decodeCACTVS: Convert a Base64 encoded Pubchem 881-bit fingerprint to a...

Description Usage Arguments Value Examples

View source: R/sidcid.R

Description

Pubchem computes 881-bit structural keys using the CACTVS toolkit, which are made available as Base64 encoded strings. This method converts the Pubchem string to a fingerprint object, which can be manipulated using the fingerprint package.

Usage

1
decodeCACTVS(cactvs)

Arguments

cactvs

A character string containing the Base64 encoded fingerprint

Value

A fingerprint object

Examples

1
decodeCACTVS('AAADcYBAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAIAAAAAAAOAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==')

CDK-R/rpubchem documentation built on Nov. 6, 2019, 3:59 a.m.