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Life Sciences Computational Chemistry R-group 3D view BIRT
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  1. Workflow
    ML Prototyping for Bioactivity Data
    Cheminformatics Webportal Data Visualization
    +7
    This workflow demonstrates model building for a bioactivity data set with several machine learning methods and binary fingerprint…
    knime > Life Sciences > Events > 2021_03_03_Cheminformatics_with_KNIME_Webinar > ML Prototyping for Bioactivity Data
    5
  2. Workflow
    Reactions with RDKit
    Life Sciences Cheminformatics Computational Chemistry
    +1
    This workflow demonstrates the one and two component reaction nodes from the RDKit community extension. This worklfow demonstrate…
    knime > Life Sciences > Cheminformatics > Reactions with RDKit > Reactions_with_RDKit_Hub_MarvinSketch
    1
  3. Workflow
    Reactions with RDKit
    Life Sciences Cheminformatics Computational Chemistry
    +1
    This workflow demonstrates the one and two component reaction nodes from the RDKit community extension. This worklfow demonstrate…
    knime > Life Sciences > Cheminformatics > Reactions with RDKit > Reactions_with_RDKit_Hub_before4.3
    0
  4. Workflow
    View PDB Structures
    Life Sciences RDKit Cheminformatics
    +5
    This workflow allows to interactively explore in 3D the PDB structure with the small molecule ligand. The RCSB PDB is accessed vi…
    knime > Life Sciences > Events > 2020_11_20_KNIME_Summit_RDKit_Workshop > View PDB Structures
    0
  5. Workflow
    01_R-Group_Decomposition
    Rdkit Cheminformatics R-group
    This workflow demonstrates how to perform R-Group Decomposition using the RDKit community extension. The workflow has several ste…
    daria.goldmann > Public > Cheminformatics > 01_R-Group_Decomposition_embed_images
    0
  6. Workflow
    Reactions with RDKit
    Life Sciences Cheminformatics Computational Chemistry
    +1
    This workflow demonstrates the one and two component reaction nodes from the RDKit community extension. This worklfow demonstrate…
    knime > Life Sciences > Cheminformatics > Reactions with RDKit > Reactions_with_RDKit_Hub_after4.3
    0
  7. Workflow
    Standardizing Molecular Structures
    Life Sciences Cheminformatics Molecules
    +1
    This workflow snippet shows how to standardize chemical structures in SMILES format using the open-source RDKit nodes. The steps …
    knime > Workflow Snippets > Standardizing Molecular Structures
    0
  8. Workflow
    01_R-Group_Decomposition
    Rdkit Cheminformatics R-group
    This workflow demonstrates how to perform R-Group Decomposition using the RDKit community extension. The workflow has several ste…
    daria.goldmann > Public > Events > 2020_04_21_RDKit_OnlineSummit > Solutions > 01_R-Group_Decomposition
    0
  9. Workflow
    01_R-Group_Decomposition
    Rdkit Cheminformatics R-group
    This workflow demonstrates how to perform R-Group Decomposition using the RDKit community extension. The workflow has several ste…
    daria.goldmann > Public > Events > 2020_04_21_RDKit_OnlineSummit > Solutions > 01_R-Group_Decomposition_embed_images
    0