|
substructure node cannot deal with explicit hydrogens
|
|
2
|
74
|
July 23, 2022
|
|
smarts query node - problems with different SMARTS lists
|
|
2
|
55
|
July 22, 2022
|
|
CDK Fingerprint similarity - "all against all" - Error "Cell at index 1 is null!"
|
|
1
|
278
|
September 21, 2021
|
|
Tautomer Generator with RDKit nodes
|
|
5
|
336
|
March 8, 2022
|
|
ArrayIndexOutOfBounds when connecting 'Molecule to CDK' to 'PaDEL-Descriptor'
|
|
3
|
522
|
October 19, 2020
|
|
Tautomer Generator "Object missing ('?')"
|
|
0
|
326
|
May 26, 2020
|
|
CDK Atom Numbering
|
|
1
|
495
|
May 29, 2019
|
|
RMSD calculation
|
|
0
|
480
|
January 22, 2019
|
|
Stereochemistry - Canonicalized Tautomers
|
|
2
|
523
|
July 18, 2018
|
|
List of Each meanings of CDK descriptions in KNIME-CDK Molecular Properties node
|
|
2
|
1284
|
August 18, 2017
|
|
Molecule to CDK node gives missing object with valid SMILES
|
|
2
|
551
|
April 28, 2017
|
|
IAtomContainer now accessible in Java Snippets (trunk)
|
|
1
|
458
|
March 13, 2017
|
|
Problem with nitrile coordinates generated by Molecule to CDK node
|
|
2
|
362
|
February 14, 2017
|
|
CDK Largest Chain descriptor inconsistencies
|
|
10
|
617
|
December 19, 2016
|
|
CDK Atom numbering
|
|
9
|
832
|
November 19, 2016
|
|
Trunk update: Issue with Smarts Query
|
|
1
|
436
|
November 8, 2016
|
|
org.openscience.cdk.depict missing from CDK jar
|
|
8
|
488
|
July 18, 2016
|
|
CDK SMARTS Matcher update (trunk)
|
|
0
|
411
|
July 12, 2016
|
|
CDK Depiction node contribution
|
|
1
|
436
|
July 12, 2016
|
|
CDK Render handling of missing cells
|
|
1
|
450
|
May 14, 2016
|
|
CDK molecular property node: invalid properties issue
|
|
2
|
372
|
February 26, 2016
|
|
BUG: CDK property values depend on calculated property subset
|
|
18
|
688
|
February 9, 2016
|
|
Properties lost through serialization?
|
|
2
|
429
|
January 12, 2016
|
|
Generating Bit Strings using SMARTs query node
|
|
4
|
683
|
January 1, 2016
|
|
Buggy behavior of “Molecule to CDK” node
|
|
7
|
649
|
December 4, 2015
|
|
CDK SMARTS fragments counter
|
|
11
|
735
|
October 28, 2015
|
|
CDK Fingerprint Similarity - Bitstring lengths/statistics
|
|
1
|
416
|
June 5, 2015
|
|
Modification of Sum Formula node
|
|
9
|
555
|
May 4, 2015
|
|
Error when chaining Column Splitter & CDK Fingerprint similarity
|
|
2
|
378
|
March 27, 2015
|
|
CDK Renderer - cannot colour bonds, only atoms?
|
|
7
|
437
|
March 24, 2015
|
