|
ArrayIndexOutOfBounds when connecting 'Molecule to CDK' to 'PaDEL-Descriptor'
|
|
3
|
306
|
October 19, 2020
|
|
Tautomer Generator "Object missing ('?')"
|
|
0
|
128
|
May 26, 2020
|
|
CDK Atom Numbering
|
|
1
|
230
|
May 29, 2019
|
|
RMSD calculation
|
|
0
|
327
|
January 22, 2019
|
|
Stereochemistry - Canonicalized Tautomers
|
|
2
|
322
|
July 18, 2018
|
|
List of Each meanings of CDK descriptions in KNIME-CDK Molecular Properties node
|
|
2
|
672
|
August 18, 2017
|
|
Molecule to CDK node gives missing object with valid SMILES
|
|
2
|
264
|
April 28, 2017
|
|
IAtomContainer now accessible in Java Snippets (trunk)
|
|
1
|
307
|
March 13, 2017
|
|
Problem with nitrile coordinates generated by Molecule to CDK node
|
|
2
|
226
|
February 14, 2017
|
|
CDK Largest Chain descriptor inconsistencies
|
|
10
|
382
|
December 19, 2016
|
|
CDK Atom numbering
|
|
9
|
608
|
November 19, 2016
|
|
Trunk update: Issue with Smarts Query
|
|
1
|
300
|
November 8, 2016
|
|
org.openscience.cdk.depict missing from CDK jar
|
|
8
|
277
|
July 18, 2016
|
|
CDK SMARTS Matcher update (trunk)
|
|
0
|
262
|
July 12, 2016
|
|
CDK Depiction node contribution
|
|
1
|
283
|
July 12, 2016
|
|
CDK Render handling of missing cells
|
|
1
|
314
|
May 14, 2016
|
|
CDK molecular property node: invalid properties issue
|
|
2
|
231
|
February 26, 2016
|
|
BUG: CDK property values depend on calculated property subset
|
|
18
|
457
|
February 9, 2016
|
|
Properties lost through serialization?
|
|
2
|
268
|
January 12, 2016
|
|
Generating Bit Strings using SMARTs query node
|
|
4
|
381
|
January 1, 2016
|
|
Buggy behavior of “Molecule to CDK” node
|
|
7
|
371
|
December 4, 2015
|
|
CDK SMARTS fragments counter
|
|
11
|
433
|
October 28, 2015
|
|
CDK Fingerprint Similarity - Bitstring lengths/statistics
|
|
1
|
269
|
June 5, 2015
|
|
Modification of Sum Formula node
|
|
9
|
393
|
May 4, 2015
|
|
Error when chaining Column Splitter & CDK Fingerprint similarity
|
|
2
|
237
|
March 27, 2015
|
|
CDK Renderer - cannot colour bonds, only atoms?
|
|
7
|
262
|
March 24, 2015
|
|
Information about CDK extended fingerprints
|
|
8
|
1046
|
March 6, 2015
|
|
About implementation of CDK descriptors in KNIME-CDK Molecular Properties node
|
|
2
|
374
|
February 15, 2015
|
|
Non-binary Tanimoto Coefficient
|
|
9
|
744
|
January 30, 2015
|
|
About integration of CDK-1.5.8 in KNIME
|
|
7
|
288
|
January 12, 2015
|
