pubchemFPencoding {ChemmineR}R Documentation

Enncoding of PubChem Fingerprints

Description

Data frame with bit positions and substructure specifications.

Usage

data(pubchemFPencoding)

Format

The format is a data frame with 881 rows and 2 columns.

Source

From: ftp://ftp.ncbi.nih.gov/pubchem/specifications/pubchem_fingerprints.txt

References

See: ftp://ftp.ncbi.nih.gov/pubchem/specifications/pubchem_fingerprints.txt

Examples

data(pubchemFPencoding)
pubchemFPencoding[1:4,]

[Package ChemmineR version 3.42.2 Index]