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rdkit/Code/GraphMol/Subgraphs/SubgraphUtils.cpp
Greg Landrum 8e731f9e70 move the MolDiscriminators calculations into Subgraphs in order to remove the lapack dependency from the core molecule code; 
At some point the BalabanJ calculation, still in MolDiscriminators.cpp, should be 
moved to MolDescriptors.
2009-04-10 04:09:49 +00:00

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