smartsSearch_OB


	  A list of OBMol references ( of class '_p_OpenBabel__OBMol') representing the molecules to
	  compute properites for. If you have your molecules in string format, you can create a list
	  of OBMol references using the <code>forEachMol</code> function, see the example.
   

obmolRefs

smartsPattern


     Should only unique matches be counted?
   

uniqueMatches


   Returns the number of matches found for each
   compound given.


ChemmineOB provides an R interface to a subset of cheminformatics functionalities implemented by the OpelBabel C++ project. OpenBabel is an open source cheminformatics toolbox that includes utilities for structure format interconversions, descriptor calculations, compound similarity searching and more. ChemineOB aims to make a subset of these utilities available from within R. For non-developers, ChemineOB is primarily intended to be used from ChemmineR as an add-on package rather than used directly.

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smartsSearch_OB: SMARTS Search

Description

Usage

Arguments

Value

Examples