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Good workflow for optimizing structure geometry?
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6
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1221
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April 30, 2020
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3D-e-Chem GPCRdb "Item could not be found on GPCRDB server"
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5
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588
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April 15, 2020
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Estimation of cell permeability
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1
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678
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March 18, 2020
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Binary Scorer v2: Matthews Correlation coefficient and Youden's statistic added
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1
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834
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March 10, 2020
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Strange behavior of 3D-e-Chem Pharmacophore from Molecule Node
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5
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975
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March 3, 2020
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Chemical Identifier Resolver (CIR) available again
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5
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1843
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June 23, 2023
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Silicos-it 3D-d-Chem installation failed
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3
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1194
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January 27, 2020
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Feature request: Remove Empty Rows: Option to remove/retain missing value cells
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19
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2369
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January 27, 2020
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pharmacophore fingerprints
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3
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1050
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June 23, 2023
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Fragment molecules to sidechains
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3
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684
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June 23, 2023
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ArrayIndexOutOfBounds exception on RXN to RInChi node
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6
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619
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June 23, 2023
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3D-e-Chem Pharmacophores viewer (Dislplays only the first molecule with pharmacophore)
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4
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924
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November 15, 2019
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Workflow to add Hydrogene on SMILES
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2
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517
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June 23, 2023
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Column Rename node doesn't convert chemical structures to String
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6
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1279
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June 23, 2023
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small molecule clustering and linking the online zinc15 database to search similar compounds to cluster representative
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3
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1478
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February 21, 2020
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Workflow to highlight structural alerts/flags for input molecules.
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4
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1435
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June 23, 2023
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Reactions plugin released to Lhasa Limited's trusted community contribution
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3
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1097
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June 23, 2023
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Cheminformatics SIG Meeting April 11th, Cambridge UK
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4
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1014
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June 23, 2023
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‘Morgan’ descriptor : Draw a curve showing the maximum property predictions obtained vs. iteration number.
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5
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749
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June 23, 2023
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Draw a curve showing the maximum property predictions iteration number
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2
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795
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March 7, 2019
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InCHi to a SMILES
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10
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7529
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June 23, 2023
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CIR node in stable community contributions, please test
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1
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627
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June 23, 2023
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RDKit Fingerprint node and (CDK) Fingerprints node gives different MACCs keys
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3
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2094
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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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2134
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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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746
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June 23, 2023
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How to cluster molecules based on their structure?
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4
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2405
|
January 4, 2022
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Determining the Number of Condensed Rings
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6
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762
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June 23, 2023
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How to use KNIME for Chemical Structures
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2
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1397
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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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1054
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June 23, 2023
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fast scalable fingerprints
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6
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1061
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June 23, 2023
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