Special Interest Groups


BioInformatics Cheminformatics
Topic Replies Created
Tanimoto similarity for pairs of compounds 16 November 8, 2019
ArrayIndexOutOfBounds exception on RXN to RInChi node 6 November 7, 2019
3D-e-Chem Pharmacophores viewer (Dislplays only the first molecule with pharmacophore) 5 October 30, 2019
Workflow Corruption, KNIME 3.6 & MOE 9 August 25, 2018
Workflow to add Hydrogene on SMILES 2 October 17, 2019
EMBL Conference: In situ Structural Biology - From Cryo-EM to Integrative Modelling 1 October 1, 2019
EMBO | EMBL Symposium: Biological Oscillators: Design, Mechanism, Function 1 October 1, 2019
EMBO | EMBL Symposium: Organoids: Modelling Organ Development and Disease in 3D Culture 1 October 1, 2019
EMBO | EMBL Symposium: The Neurovascular Interface 1 October 1, 2019
EMBO | EMBL Symposium: Defining and Defeating Metastasis 1 September 27, 2019
EMBO | EMBL Symposium: Microtubules: From Atoms to Complex Systems 1 September 27, 2019
EMBO Workshop: Microglia 2020 1 September 27, 2019
Column Rename node doesn't convert chemical structures to String 6 October 9, 2015
small molecule clustering and linking the online zinc15 database to search similar compounds to cluster representative 3 July 6, 2019
Workflow to highlight structural alerts/flags for input molecules. 4 November 5, 2018
Reactions plugin released to Lhasa Limited's trusted community contribution 3 June 11, 2019
Cheminformatics SIG Meeting April 11th, Cambridge UK 4 April 3, 2019
‘Morgan’ descriptor : Draw a curve showing the maximum property predictions obtained vs. iteration number. 5 March 5, 2019
Draw a curve showing the maximum property predictions iteration number 3 March 5, 2019
InCHi to a SMILES 10 February 28, 2019
CIR node in stable community contributions, please test 1 February 4, 2019
Chemical Identifier Resolver (CIR) available again 2 January 11, 2019
RDKit Fingerprint node and (CDK) Fingerprints node gives different MACCs keys 4 January 13, 2019
Questions about "from SMILE (or inChiKeys) to PubChem IDs". 3 January 25, 2018
Computational Chemistry Trainee at Idorsia Pharmaceuticals Ltd., Basel area 1 December 11, 2018
Knime and CDD Vault 7 June 5, 2018
How to cluster molecules based on their structure? 4 October 28, 2014
Determining the Number of Condensed Rings 6 September 11, 2018
Reading in a protein FASTA file in KNIME 2 November 6, 2018
Tanimoto similarity using count-based fingerprints? 3 September 28, 2018