From: <no...@gi...> - 2010-10-17 22:05:16
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Branch: refs/heads/cdk-1.4.x Home: http://github.com/cdk/cdk Commit: 6dd172f7efcb60f07100fc632ff2da2f47c95ddb http://github.com/cdk/cdk/commit/6dd172f7efcb60f07100fc632ff2da2f47c95ddb Author: Rajarshi Guha <raj...@gm...> Date: 2010-10-17 (Sun, 17 Oct 2010) Changed paths: M doc/refs/cheminf.bibx M src/main/org/openscience/cdk/dict/data/descriptor-algorithms.owl A src/main/org/openscience/cdk/qsar/descriptors/molecular/FMFDescriptor.java M src/test/org/openscience/cdk/modulesuites/MqsarmolecularTests.java A src/test/org/openscience/cdk/qsar/descriptors/molecular/FMFDescriptorTest.java Log Message: ----------- Implementation of the Fmf descriptor described by Yang et al, J Med Chem, 2010. The descriptor is described i in Yang et al, J Med Chem 2010, and is an approach to characterizing molecular complexity based on the Murcko framework |