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Education Interactive View Bit Vector Distances Hierarchical Clustering Interactive Selection
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  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
    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 > exercises > 01_Chemistry_basics
    0
  4. 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
  5. 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 > 2022_04_20_AIDD_Workshop > exercise > Chemistry_Exercise
    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…
    urbanl > Public > 01_Chemistry_basics
    0
  7. Workflow
    03_Clustering
    Hierarchical Clustering Bit Vector Distances Molecule Descriptors
    +3
    This exercise shows how to perform hierarchical clustering based on molecule fingerprints and create an interactive view to pick …
    greglandrum > Public > Presentations > 2020 > 11_02_GCC_Workshop > Clustering_and_RGD
    0
  8. Workflow
    03_Clustering
    Hierarchical Clustering Bit Vector Distances Molecule Descriptors
    +3
    This exercise shows how to perform hierarchical clustering based on molecule fingerprints and create an interactive view to pick …
    greglandrum > Public > Presentations > 2020 > 2020_11_05_RDKitPython_Webinar > Clustering_and_RGD
    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…
    greglandrum > Public > Presentations > 2021 > 2021_10_20_RSC_Workshop > 01_Clustering_and_Interactive_Compound_Selection
    0
  10. 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 > Education > Courses > L4-CH Introduction to Working with Chemical Data > exercises > 03_Clustering
    0
  11. 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
  12. 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 > Education > Courses > L4-CH Introduction to Working with Chemical Data > exercises > 04_SimilaritySearch
    0
  13. 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
  14. 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
  15. 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 > 2021_09_13_Vienna_Summer_School > Advanced > solutions > 02_SimilaritySearch
    0
  16. 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 > 2022_05_08_GCC > exercise > Similarity_Search_Exercise
    0
  17. Workflow
    Model Selection with Integrated Deployment
    Chemistry Naive bayes Random forest
    +11
    This workflow deploys an advanced parameter optimzation protocol with four machine learning methods. In this implementation the c…
    knime > Education > Courses > L4-CA Machine Learning for Chemical Applications > Solutions > 02_Hyperparameter Optimization_Bonus
    0
  18. Workflow
    Model Selection with Integrated Deployment
    Chemistry Naive bayes Random forest
    +11
    This workflow deploys an advanced parameter optimzation protocol with four machine learning methods. In this implementation the c…
    janina > Public > 2022_01_KNIME_User_Day > Model Selection with Integrated Deployment
    0
  19. Workflow
    Model Selection with Integrated Deployment
    Chemistry Naive bayes Random forest
    +11
    This workflow deploys an advanced parameter optimzation protocol with four machine learning methods. In this implementation the c…
    knime > Education > Courses > L4-CA Machine Learning for Chemical Applications > Exercises > 02_Hyperparameter Optimization
    0
  20. 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