exactMassOB

sdfset


	Computes the exact mass of each compound given.


exact

mass

monoisotopic

ChemmineR is a cheminformatics package for analyzing drug-like small molecule data in R. Its latest version contains functions for efficient processing of large numbers of molecules, physicochemical/structural property predictions, structural similarity searching, classification and clustering of compound libraries with a wide spectrum of algorithms. In addition, it offers visualization functions for compound clustering results and chemical structures.

Thomas Girke

ChemmineR

Cheminformatics Toolkit for R

exactMassOB function

Computes the exact mass of each compound given.

exactMassOB: Exact Mass (Monoisotopic Mass)

Description

Usage

Arguments

Value

Examples