|
Workflow to highlight structural alerts/flags for input molecules.
|
|
4
|
532
|
July 2, 2019
|
|
Reactions plugin released to Lhasa Limited's trusted community contribution
|
|
3
|
420
|
June 12, 2019
|
|
Cheminformatics SIG Meeting April 11th, Cambridge UK
|
|
4
|
433
|
April 8, 2019
|
|
‘Morgan’ descriptor : Draw a curve showing the maximum property predictions obtained vs. iteration number.
|
|
5
|
268
|
March 11, 2019
|
|
Draw a curve showing the maximum property predictions iteration number
|
|
3
|
244
|
March 7, 2019
|
|
InCHi to a SMILES
|
|
10
|
488
|
March 5, 2019
|
|
CIR node in stable community contributions, please test
|
|
1
|
222
|
February 4, 2019
|
|
RDKit Fingerprint node and (CDK) Fingerprints node gives different MACCs keys
|
|
4
|
557
|
January 21, 2019
|
|
Questions about "from SMILE (or inChiKeys) to PubChem IDs".
|
|
3
|
755
|
January 11, 2019
|
|
Computational Chemistry Trainee at Idorsia Pharmaceuticals Ltd., Basel area
|
|
1
|
301
|
December 11, 2018
|
|
How to cluster molecules based on their structure?
|
|
4
|
673
|
November 20, 2018
|
|
Determining the Number of Condensed Rings
|
|
6
|
308
|
November 16, 2018
|
|
Tanimoto similarity using count-based fingerprints?
|
|
3
|
1006
|
October 23, 2018
|
|
How to use KNIME for Chemical Structures
|
|
2
|
428
|
October 18, 2018
|
|
3D-e-Chem Warnings in Linux KNIME
|
|
3
|
366
|
October 4, 2018
|
|
fast scalable fingerprints
|
|
6
|
479
|
September 30, 2018
|
|
3D-e-Chem temporary dir for align-IT warning
|
|
3
|
291
|
September 28, 2018
|
|
Stereochemistry - Identify Meso compounds
|
|
2
|
303
|
September 25, 2018
|
|
3D-e-Chem Nodes in KNIME for Linux
|
|
2
|
361
|
September 25, 2018
|
|
Stereocenters
|
|
2
|
388
|
September 14, 2018
|
|
Analysing Fourier Transform Infra Red Spectroscopy data in KNIME
|
|
2
|
458
|
September 14, 2018
|
|
ChEMBLdb Connector Error
|
|
4
|
614
|
August 31, 2018
|
|
SDF Writer US-ASCII charset limit
|
|
19
|
1029
|
July 24, 2018
|
|
CheS-Mapper
|
|
6
|
419
|
July 22, 2018
|
|
Identify Salts in molecules
|
|
2
|
317
|
July 2, 2018
|
|
connect a compounds list to an online tool
|
|
3
|
322
|
June 3, 2018
|
|
SMILEs in Excel
|
|
4
|
685
|
April 27, 2018
|
|
string to fingerprint
|
|
3
|
281
|
April 17, 2018
|
|
SAS XPORT file reader / SEND file reader now available in Lhasa community contribution
|
|
4
|
395
|
April 12, 2018
|
|
Canvas Fingerprint Generation Execute failed
|
|
2
|
300
|
April 3, 2018
|
