MolSearch

Determines whether a target structure contains a query structure. Upon execution the molecules from the input table are filtered. The all molecules that contain the query structure.

Options

Query structure column
The query structure column.
Target structure column
The target structure column.
Search type
Sets different search options according to a predefined search type.
Hit coloring
Specifies if substructure hit coloring should be used.
Hit alignment
Specifies if alignment to use for hit display.
Markush reduction according to the hit
In case of markush searching the markush structure is expanded according to the query structure.
Stereochemistry
Chirality information is considered during searching.
Double bond stereo check
Specifies whether bond types should match exacly.
Charges
Specifies the charge searching behaviour.
Isotopes
Specifies the isotope searching behaviour.
Radicals
Specifies the radical searching behaviour.
Valence
valence should be checked during search.
Tautomer
Sets if tautomers of the query should be enumerated for search.
Vague bond
Option for less strict evaluation of query bonds (e.g. ambiguious aromaticity).
Chem Terms
Sets the Chemical Terms filtering expression.

Input Ports

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Input table that contains query structure in Structure(Mrv, Sdf, Smiles, etc.) format.
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Input table that contains target structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Output Ports

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Output table that contains search result structure in Structure(Mrv, Sdf, Smiles, etc.) format.
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Output table that contains other than search result structure in Structure(Mrv, Sdf, Smiles, etc.) format.

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