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Showing results of 84

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113 Extend pharmacophore support None open Rajarshi Guha 2008-07-26 2012-10-08 0  
111 Accuracy of atomic polarizabilities None open 2008-07-22 2012-10-08 0  
110 Test if static String[] help performance and memory None open 2008-07-17 2012-10-08 0  
109 enumeration of stereoisomers None open 2008-06-24 2012-10-08 0  
107 Upgrade to JGraphT 0.7.3 None open 2008-02-25 2012-10-08 0  
105 Upgrade the JGraphT library to version 0.8 None open 2008-02-17 2012-10-08 0  
102 cdk-taverna qsar properties reference to atoms None open 2007-10-03 2012-10-08 0  
101 SmilesGenerator and PseudoAtoms None open 2007-08-29 2012-10-08 0  
99 Should getDescriptorType() not be in IDescriptor None open 2007-06-26 2012-10-08 0  
97 Get Strand from Monomer None open 2007-02-01 2012-10-08 0  
95 Valency as a property of IAtom None open 2006-11-13 2012-10-08 0  
94 spinMultiplicity support in MDLReader None open 2006-10-30 2012-10-08 0  
86 Better handling of SD data fields None open Egon Willighagen 2006-04-27 2012-10-08 0  
84 Highlight multiple atoms/bonds None open 2006-03-09 2012-10-08 0  
82 Support for PDBML None open 2006-02-24 2012-10-08 0  
78 atom based fonts (for bold face) needed None open 2006-02-13 2012-10-08 0  
76 Drawing alkane chains in one drag move None open 2005-12-20 2012-10-08 0  
73 Access to ElectronContainer's from Atom None open 2005-12-11 2012-10-08 0  
69 General structural alignment of molecules None open 2005-10-13 2012-10-08 0  
68 A Bond editor popup option to break it into two radicals None open 2005-10-11 2012-10-08 0  
65 Test for very slow fingerprints None open Christoph Steinbeck 2005-04-12 2012-10-08 0  
61 Suggestions for improvement of developers guide None open 2005-04-01 2012-10-08 0  
60 Benchmarks for the forcefield module open 2005-03-29 2016-08-10 0  
58 Builder3d does not make methyls in staggerd conformation None open Christian Hoppe 2005-02-24 2012-10-08 0  
50 StructureGenerator should allow hydrogen toggle None open 2004-04-21 2012-10-08 0  
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