Community Extensions   CDK


Topic Replies Created
CDK Atom Numbering 1 May 24, 2019
RMSD calculation 1 January 22, 2019
Stereochemistry - Canonicalized Tautomers 3 June 25, 2018
List of Each meanings of CDK descriptions in KNIME-CDK Molecular Properties node 3 August 16, 2017
Molecule to CDK node gives missing object with valid SMILES 3 April 27, 2017
IAtomContainer now accessible in Java Snippets (trunk) 2 March 13, 2017
Problem with nitrile coordinates generated by Molecule to CDK node 3 February 10, 2017
CDK Largest Chain descriptor inconsistencies 11 February 9, 2016
CDK Atom numbering 10 May 5, 2016
Trunk update: Issue with Smarts Query 2 November 8, 2016
org.openscience.cdk.depict missing from CDK jar 9 January 13, 2016
CDK SMARTS Matcher update (trunk) 1 July 12, 2016
CDK Depiction node contribution 2 July 12, 2016
CDK Render handling of missing cells 2 May 11, 2016
CDK molecular property node: invalid properties issue 3 February 25, 2016
BUG: CDK property values depend on calculated property subset 19 October 28, 2015
Properties lost through serialization? 3 January 8, 2016
Generating Bit Strings using SMARTs query node 5 December 30, 2015
Buggy behavior of “Molecule to CDK” node 8 October 13, 2015
CDK SMARTS fragments counter 12 June 2, 2015
CDK Fingerprint Similarity - Bitstring lengths/statistics 2 June 1, 2015
Modification of Sum Formula node 10 July 4, 2014
Error when chaining Column Splitter & CDK Fingerprint similarity 3 March 20, 2015
CDK Renderer - cannot colour bonds, only atoms? 8 February 22, 2015
Information about CDK extended fingerprints 9 April 6, 2014
About implementation of CDK descriptors in KNIME-CDK Molecular Properties node 3 February 13, 2015
Non-binary Tanimoto Coefficient 10 January 20, 2015
About integration of CDK-1.5.8 in KNIME 8 January 4, 2015
CDK connectivity node does not correctly split some mol mixture item 2 December 30, 2014
Inconsistencies with KNIME-CDK “Lipinski's rule of five” descriptor 5 December 1, 2014