Rchemcpp
Similarity measures for chemical compounds

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Rchemcpp: Similarity measures for chemical compounds
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Man pages for Rchemcpp
Similarity measures for chemical compounds

createRMoleculecreateRMolecule
getMoleculeNamesFromSDFgetMoleculeNamesFromSDF - a helper function
getMoleculePropertyFromSDFgetMoleculePropertyFromSDF - a helper function
Rchemcpp-packageRchemcpp provides tools for comparing chemical compounds
Rcpp_Rmolecule-classClass '"Rcpp_Rmolecule"'
Rcpp_Rmoleculeset-classClass '"Rcpp_Rmoleculeset"'
readRmoleculesetGenerating an Rmoleculeset from an SDF file
sd2gramsd2gram - Similarity of molecules by the marginalized kernel...
sd2gram3Dpharmasd2gram3Dpharma - Similarity of molecules by the exact...
sd2gram3Dspectrumsd2gram3Dspectrum - Similarity of molecules by fast...
sd2gramSpectrumsd2gramSpectrum - Similarity of molecules by walk-based graph...
sd2gramSubtreesd2gramSubtree - Similarity of molecules by several graph...
Rchemcpp documentation built on May 6, 2019, 4:58 a.m.

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