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RDKit Fingerprint node and (CDK) Fingerprints node gives different MACCs keys
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3
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2133
|
January 21, 2019
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Questions about "from SMILE (or inChiKeys) to PubChem IDs".
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3
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2170
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June 23, 2023
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Computational Chemistry Trainee at Idorsia Pharmaceuticals Ltd., Basel area
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1
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748
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June 23, 2023
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Knime and CDD Vault
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7
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2093
|
June 23, 2023
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How to cluster molecules based on their structure?
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4
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2446
|
January 4, 2022
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Determining the Number of Condensed Rings
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6
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766
|
June 23, 2023
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Reading in a protein FASTA file in KNIME
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2
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2178
|
June 23, 2023
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How to use KNIME for Chemical Structures
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2
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1421
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June 23, 2023
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3D-e-Chem Warnings in Linux KNIME
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3
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1055
|
June 23, 2023
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EMBL Conference: From Images to Knowledge with ImageJ & Friends
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1
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1352
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June 23, 2023
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fast scalable fingerprints
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6
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1071
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June 23, 2023
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3D-e-Chem temporary dir for align-IT warning
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3
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690
|
June 23, 2023
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Stereochemistry - Identify Meso compounds
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2
|
654
|
June 23, 2023
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3D-e-Chem Nodes in KNIME for Linux
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2
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858
|
June 23, 2023
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Stereocenters
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2
|
978
|
June 23, 2023
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ChEMBLdb Connector Error
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4
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1314
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June 23, 2023
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SDF Writer US-ASCII charset limit
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19
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2402
|
June 23, 2023
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CheS-Mapper
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6
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820
|
June 23, 2023
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3D-e-Chem Pharmacophore reader and locale
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2
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501
|
July 13, 2018
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Identify Salts in molecules
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2
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612
|
June 23, 2023
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connect a compounds list to an online tool
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3
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664
|
June 23, 2023
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SMILEs in Excel
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4
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2813
|
June 23, 2023
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string to fingerprint
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3
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592
|
June 23, 2023
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SAS XPORT file reader / SEND file reader now available in Lhasa community contribution
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4
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896
|
June 23, 2023
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Canvas Fingerprint Generation Execute failed
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2
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911
|
June 23, 2023
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Vernalis Matched Molecular pairs updates
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6
|
640
|
June 23, 2023
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3D-e-Chem nodes
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5
|
753
|
June 23, 2023
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PaDEL Issue
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4
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1832
|
June 23, 2023
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OpenBabel node - is there one or not?
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2
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765
|
June 23, 2023
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Questions about MarvinSketch & MolConverter Nodes
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5
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1166
|
June 23, 2023
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