Special Interest Groups


BioInformatics Cheminformatics
Topic Replies Activity
Strange behavior of 3D-e-Chem Pharmacophore from Molecule Node 1 February 13, 2020
Chemical Identifier Resolver (CIR) available again 5 January 28, 2020
Silicos-it 3D-d-Chem installation failed 4 January 27, 2020
Feature request: Remove Empty Rows: Option to remove/retain missing value cells 20 January 27, 2020
regarding Regex operation in KNIME 2 December 15, 2019
pharmacophore fingerprints 3 December 2, 2019
Fragment molecules to sidechains 3 November 28, 2019
Tanimoto similarity for pairs of compounds 16 November 12, 2019
ArrayIndexOutOfBounds exception on RXN to RInChi node 6 November 8, 2019
3D-e-Chem Pharmacophores viewer (Dislplays only the first molecule with pharmacophore) 5 November 15, 2019
Workflow Corruption, KNIME 3.6 & MOE 9 October 22, 2019
Workflow to add Hydrogene on SMILES 2 October 22, 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 August 24, 2019
small molecule clustering and linking the online zinc15 database to search similar compounds to cluster representative 3 August 23, 2019
Workflow to highlight structural alerts/flags for input molecules. 4 July 2, 2019
Reactions plugin released to Lhasa Limited's trusted community contribution 3 June 12, 2019
Cheminformatics SIG Meeting April 11th, Cambridge UK 4 April 8, 2019
‘Morgan’ descriptor : Draw a curve showing the maximum property predictions obtained vs. iteration number. 5 March 11, 2019
Draw a curve showing the maximum property predictions iteration number 3 March 7, 2019
InCHi to a SMILES 10 March 5, 2019
CIR node in stable community contributions, please test 1 February 4, 2019
RDKit Fingerprint node and (CDK) Fingerprints node gives different MACCs keys 4 January 21, 2019
Questions about "from SMILE (or inChiKeys) to PubChem IDs". 3 January 11, 2019