| Rchemcpp-package | Rchemcpp provides tools for comparing chemical compounds |
| createRMolecule | createRMolecule |
| getMoleculeNamesFromSDF | getMoleculeNamesFromSDF - a helper function |
| getMoleculePropertyFromSDF | getMoleculePropertyFromSDF - a helper function |
| length-method | Class '"Rcpp_Rmoleculeset"' |
| Rchemcpp | Rchemcpp provides tools for comparing chemical compounds |
| Rcpp_Rmolecule-class | Class '"Rcpp_Rmolecule"' |
| Rcpp_Rmoleculeset-class | Class '"Rcpp_Rmoleculeset"' |
| readRmoleculeset | Generating an Rmoleculeset from an SDF file |
| Rmolecule | Class '"Rcpp_Rmolecule"' |
| Rmoleculeset | Class '"Rcpp_Rmoleculeset"' |
| sd2gram | sd2gram - Similarity of molecules by the marginalized kernel and proposed extensions. |
| sd2gram3Dpharma | sd2gram3Dpharma - Similarity of molecules by the exact pharmacophore kernel. |
| sd2gram3Dspectrum | sd2gram3Dspectrum - Similarity of molecules by fast approximations of the pharmacophore kernel |
| sd2gramSpectrum | sd2gramSpectrum - Similarity of molecules by walk-based graph kernels |
| sd2gramSubtree | sd2gramSubtree - Similarity of molecules by several graph kernels based on the count of common subtrees |