Special Interest Groups

BioInformatics Cheminformatics
‘Morgan’ descriptor : Draw a curve showing the maximum property predictions obtained vs. iteration number. [Cheminformatics] (5)
Draw a curve showing the maximum property predictions iteration number [Cheminformatics] (3)
InCHi to a SMILES [Cheminformatics] (10)
CIR node in stable community contributions, please test [Cheminformatics] (1)
Chemical Identifier Resolver (CIR) available again [Cheminformatics] (2)
RDKit Fingerprint node and (CDK) Fingerprints node gives different MACCs keys [Cheminformatics] (4)
Questions about "from SMILE (or inChiKeys) to PubChem IDs". [Cheminformatics] (3)
Workflow Corruption, KNIME 3.6 & MOE [Cheminformatics] (7)
Computational Chemistry Trainee at Idorsia Pharmaceuticals Ltd., Basel area [Cheminformatics] (1)
Knime and CDD Vault [BioInformatics] (7)
How to cluster molecules based on their structure? [Cheminformatics] (4)
Determining the Number of Condensed Rings [Cheminformatics] (6)
Workflow to highlight structural alerts/flags for input molecules. [Cheminformatics] (3)
Reading in a protein FASTA file in KNIME [BioInformatics] (2)
Tanimoto similarity using count-based fingerprints? [Cheminformatics] (3)
How to use KNIME for Chemical Structures [Cheminformatics] (2)
3D-e-Chem Warnings in Linux KNIME [Cheminformatics] (3)
EMBL Conference: From Images to Knowledge with ImageJ & Friends [BioInformatics] (1)
fast scalable fingerprints [Cheminformatics] (6)
3D-e-Chem temporary dir for align-IT warning [Cheminformatics] (3)
Stereochemistry - Identify Meso compounds [Cheminformatics] (2)
3D-e-Chem Nodes in KNIME for Linux [Cheminformatics] (2)
Stereocenters [Cheminformatics] (2)
Analysing Fourier Transform Infra Red Spectroscopy data in KNIME [Cheminformatics] (2)
Use KNIME to run remote jobs [BioInformatics] (4)
ChEMBLdb Connector Error [Cheminformatics] (4)
SDF Writer US-ASCII charset limit [Cheminformatics] (19)
CheS-Mapper [Cheminformatics] (6)
3D-e-Chem Pharmacophore reader and locale [Special Interest Groups] (3)
Identify Salts in molecules [Cheminformatics] (2)