pubchemFPencoding: Enncoding of PubChem Fingerprints

Description Usage Format Source References Examples

Description

Data frame with bit positions and substructure specifications.

Usage

1

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

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ChemmineR documentation built on Sept. 14, 2017, 2:01 a.m.