|
Comparing molecules by Tversky similarity
|
|
4
|
1450
|
June 23, 2023
|
|
Missing molecule to indigo
|
|
4
|
755
|
June 23, 2023
|
|
Error with OpenBabel on Mac
|
|
3
|
815
|
June 23, 2023
|
|
Chemical library overlap
|
|
4
|
1061
|
June 23, 2023
|
|
CheEMBLdb Connector Input fails
|
|
4
|
900
|
June 23, 2023
|
|
RDKit Fingerprint node MACCs keys gives wrong number of bits
|
|
2
|
1381
|
June 23, 2023
|
|
SyGMA python package install
|
|
3
|
954
|
June 23, 2023
|
|
creating compound library in KNIME
|
|
3
|
861
|
June 23, 2023
|
|
convert into high predictive throughput workflow
|
|
3
|
495
|
June 23, 2023
|
|
Lhasa Limited's trusted contribution now on Bitbucket
|
|
1
|
491
|
June 23, 2023
|
|
Chemical Identifier Resolver issues with Knime 3.3
|
|
5
|
685
|
June 23, 2023
|
|
Subtracting the MCS to the Original Molecule
|
|
2
|
578
|
June 23, 2023
|
|
INDIGO installation does not work on KNIME 3.4.4
|
|
3
|
611
|
June 23, 2023
|
|
Vernalis Matched Molecular Pairs (MMP) Nodes updated
|
|
1
|
404
|
June 23, 2023
|
|
Changes to RCSB PDB queries
|
|
1
|
473
|
June 23, 2023
|
|
Identifying Molecular and Electronic Rearrangements
|
|
3
|
461
|
June 23, 2023
|
|
Clarification on the functioning of the Model Acceptability Criteria node
|
|
4
|
622
|
June 23, 2023
|
|
Calculating MEQI keys
|
|
2
|
530
|
January 4, 2022
|
|
Automated Matched Pairs node generates duplicate transformations
|
|
2
|
571
|
June 23, 2023
|
|
OpenEye Python scripts integration
|
|
2
|
1310
|
June 23, 2023
|
|
Match reactants structures with products structures
|
|
3
|
598
|
June 23, 2023
|
|
Can't configure OpenBabel node in Knime
|
|
2
|
437
|
June 23, 2023
|
|
Can't configure OpenBabel node in Knime
|
|
2
|
611
|
June 23, 2023
|
|
XlogP sdf mol2
|
|
2
|
465
|
June 23, 2023
|
|
What is a framework to generate crystal structures for different metallic compound and then calculate its respective descriptors
|
|
2
|
665
|
June 23, 2023
|
|
6th SIG ChemInf meeting on April, 25th
|
|
1
|
357
|
June 23, 2023
|
|
Is there a simple way to count functional groups?
|
|
5
|
2654
|
June 23, 2023
|
|
OpenBabel Conversion Problem
|
|
2
|
600
|
June 23, 2023
|
|
Bug fix: Binary Scorer Binner Performance
|
|
1
|
458
|
June 23, 2023
|
|
New BioSolveIT nodes!
|
|
2
|
995
|
June 23, 2023
|