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Maximum common substructure (MCS)
Chemoinformatics Education Life Sciences RDKit Sketcher R-Group Decomposition (RGD) R-Group-Decomposition (RGD) FMCS algorithm
  1. 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
    knime
  2. 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…
    alice_krebs > Public > 2023_09 Chemical Data Training Helsinki > solutions > 03 MCS and R-Group Decomposition
    0
    alice_krebs
  3. 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…
    alice_krebs > Public > 2023_09 Chemical Data Training Helsinki > excercises > 03 MCS and R-Group Decomposition
    0
    alice_krebs
  4. 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
    catherineoleary
  5. 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…
    knime > Life Sciences > Events > 2021_09_13_Vienna_Summer_School > Advanced > exercises > 03_R-Group_Decomposition
    0
    knime
  6. 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
    catherineoleary
  7. Workflow
    W6_Maximum_common_substructure
    Maximum common substructure (MCS) FMCS algorithm TeachOpenCADD
    In order to visualize shared scaffolds and thereby emphasize the extent and type of chemical similarities or differences of a com…
    tymsk3891 > Public > TeachOpenCADD_reconfigured_with_KNIME_4.5 > Workflow > W6_Maximum_common_substructure
    0
    tymsk3891
  8. 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…
    knime > Education > Courses > L4-CH Introduction to Working with Chemical Data > exercises > 04_R-Group_Decomposition
    0
    knime
  9. 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 > Education > Courses > L4-CH Introduction to Working with Chemical Data > solutions > 04_R-Group_Decomposition
    0
    knime
  10. Workflow
    TeachOpenCADD Workflow 6: Maximum common substructures
    Maximum common substructure (MCS) FMCS algorithm
    In order to visualize shared scaffolds and thereby emphasize the extent and type of chemical similarities or differences of a com…
    volkamerlab > Public > TeachOpenCADD_Workflow6_Maximum_common_substructure > TeachOpenCADD_Workflow6_Maximum_common_substructure
    0
    volkamerlab
  11. 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
    catherineoleary
  12. 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 > 0x_Bonus_R-Group_Decomposition with Enumeration
    0
    knime