Using Derwent Superatoms

The Derwent Markush Resource (file DWPIM) includes 22 different generic nodes (also called superatoms) which allow for precise Markush structure searches. Even though they are unique to DWPIM, they are seamlessly integrated into the existing STN node hierarchy to enable a single structure (containing STN nodes) to be searched in all structure databases.

Overall, these superatoms represent:

They can be accessed in the structure editor:

  1. Click the Variables    icon.

  2. Click the Derwent (DWPIM/DCR) generic nodes tab, and then click a category to expand it (in this example, Heterocycles).

    Note: In STNext, the Derwent superatoms are only applicable to DWPIM and not to DCR. The superatom HAL (halogens) and MX (metals) are not separately listed since they match to the corresponding STN nodes X and M, respectively).

For more detailed information on Derwent superatoms, please consult the DWPIM Reference Manual.

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Drawing and Editing Structures

Drawing Substructure Queries

Drawing Reaction Queries