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Chemistry Interactive View Bit Vector Distances Hierarchical Clustering Interactive Selection
+3
  1. Workflow
    01_Chemistry_basics
    Chemistry Interactive View Life Sciences
    +1
    This workflow demonstrates basic cheminformatics functionality within KNIME Analytics Platform: Reading and writing various chemi…
    knime > Education > Courses > L4-CH Introduction to Working with Chemical Data > exercises > 01_Chemistry_basics
    1
  2. Workflow
    01_Chemistry_basics
    Chemistry Interactive View Life Sciences
    +1
    This workflow demonstrates basic cheminformatics functionality within KNIME Analytics Platform: Reading and writing various chemi…
    knime > Life Sciences > Events > 2021_09_13_Vienna_Summer_School > Beginners > exercises > 01_Interactive_visualization
    1
  3. Workflow
    02_R-Group_Decomposition
    RDKit R-Group Decomposition (RGD) Chemoinformatics
    +4
    This workflow demonstrates how to perform R-Group Decomposition using the RDKit community extension. The workflow has several ste…
    knime > Life Sciences > Events > 2021_09_13_Vienna_Summer_School > Advanced > solutions > 03_R-Group_Decomposition
    0
  4. Workflow
    04_SimilaritySearch
    Chemistry Shared Components Life Sciences
    +2
    In this exercise we expand our results by finding building blocks similar to those we selected in the previous exercise (03_Clust…
    knime > Education > Courses > L4-CH Introduction to Working with Chemical Data > solutions > 04_SimilaritySearch
    0
  5. Workflow
    03_Clustering
    Hierarchical Clustering Bit Vector Distances Molecule Descriptors
    +4
    This exercise shows how to perform hierarchical clustering using molecule fingerprints and create an interactive view to pick int…
    catherineoleary > Public > L4-CH Introduction to Working with Chemical Data > solutions > 03_Clustering
    0
  6. Workflow
    01_Chemistry_basics
    Chemistry Interactive View Life Sciences
    +1
    This workflow demonstrates basic cheminformatics functionality within KNIME Analytics platform: Reading and writing various chemi…
    catherineoleary > Public > L4-CH Introduction to Working with Chemical Data > solutions > 01_Chemistry_basics
    0
  7. Workflow
    02a_R-Group_Decomposition Bonus material
    RDKit R-Group Decomposition (RGD) Chemoinformatics
    +4
    This workflow demonstrates how to perform R-Group Decomposition using the RDKit community extension and the enumeration of the li…
    catherineoleary > Public > L4-CH Introduction to Working with Chemical Data > solutions > 02a_R-Group_Decomposition with Enumeration
    0
  8. Workflow
    04_SimilaritySearch
    Chemistry Shared Components Life Sciences
    +2
    In this exercise we expand our results by finding building blocks similar to those we selected in the previous exercise (03_Clust…
    catherineoleary > Public > L4-CH Introduction to Working with Chemical Data > solutions > 04_SimilaritySearch
    0
  9. Workflow
    03_Clustering
    Hierarchical Clustering Bit Vector Distances Molecule Descriptors
    +4
    This exercise shows how to perform hierarchical clustering using molecule fingerprints and create an interactive view to pick int…
    knime > Life Sciences > Events > 2021_09_13_Vienna_Summer_School > Advanced > solutions > 01_Clustering_Fingerprint_Similarity
    0
  10. Workflow
    04_SimilaritySearch
    Chemistry Shared Components Life Sciences
    +2
    In this exercise we expand our results by finding building blocks similar to those we selected in the previous exercise (03_Clust…
    knime > Life Sciences > Events > 2022_05_08_GCC > solution > Similarity_Search
    0
  11. Workflow
    03_Clustering
    Hierarchical Clustering Bit Vector Distances Molecule Descriptors
    +4
    This exercise shows how to perform hierarchical clustering using molecule fingerprints and create an interactive view to pick int…
    knime > Education > Courses > L4-CH Introduction to Working with Chemical Data > solutions > 03_Clustering
    0
  12. Workflow
    02_R-Group_Decomposition
    RDKit R-Group Decomposition (RGD) Chemoinformatics
    +4
    This workflow demonstrates how to perform R-Group Decomposition using the RDKit community extension. The workflow has several ste…
    catherineoleary > Public > L4-CH Introduction to Working with Chemical Data > solutions > 02_R-Group_Decomposition
    0
  13. Workflow
    01_Chemistry_basics
    Chemistry Interactive View Life Sciences
    +1
    This workflow demonstrates basic cheminformatics functionality within KNIME Analytics platform: Reading and writing various chemi…
    knime > Life Sciences > Events > 2021_09_13_Vienna_Summer_School > Beginners > solutions > 01_Interactive_visualization
    0
  14. Workflow
    02a_R-Group_Decomposition Bonus material
    RDKit R-Group Decomposition (RGD) Chemoinformatics
    +4
    This workflow demonstrates how to perform R-Group Decomposition using the RDKit community extension and the enumeration of the li…
    knime > Education > Courses > L4-CH Introduction to Working with Chemical Data > solutions > 02a_R-Group_Decomposition with Enumeration
    0
  15. Workflow
    02_R-Group_Decomposition
    Maximum Common Substructure (MCS) Sketcher R-Group-Decomposition (RGD)
    +4
    This is an exercise workflow to perform R-Group Decomposition. To complete the workflow follow the instructions in the annotation…
    catherineoleary > Public > L4-CH Introduction to Working with Chemical Data > exercises > 02_R-Group_Decomposition
    0
  16. Workflow
    03_Clustering
    Chemistry Hierarchical Clustering Bit Vector Distances
    +4
    This exercise shows how to perform hierarchical clustering using molecule fingerprints and create an interactive view to pick int…
    catherineoleary > Public > L4-CH Introduction to Working with Chemical Data > exercises > 03_Clustering
    0
  17. Workflow
    03_Clustering
    Chemistry Hierarchical Clustering Bit Vector Distances
    +4
    This exercise shows how to perform hierarchical clustering using molecule fingerprints and create an interactive view to pick int…
    knime > Life Sciences > Events > 2021_09_13_Vienna_Summer_School > Advanced > exercises > 01_Clustering_Fingerprint_Similarity
    0
  18. Workflow
    01_Chemistry_basics
    Chemistry Interactive View Life Sciences
    +1
    This workflow demonstrates basic cheminformatics functionality within KNIME Analytics Platform: Reading and writing various chemi…
    urbanl > Public > 01_Chemistry_basics
    0
  19. Workflow
    04_SimilaritySearch
    Chemistry Life Sciences Similarity Search
    +2
    In this exercise we expand our results by finding building blocks similar to those we selected in the previous exercise (03_Clust…
    knime > Life Sciences > Events > 2021_09_13_Vienna_Summer_School > Advanced > exercises > 02_SimilaritySearch
    0
  20. Workflow
    01_Chemistry_basics
    Chemistry Interactive View Life Sciences
    +1
    This workflow demonstrates basic cheminformatics functionality within KNIME Analytics platform: Reading and writing various chemi…
    knime > Education > Courses > L4-CH Introduction to Working with Chemical Data > solutions > 01_Chemistry_basics
    0