JChem Search

Options

Query structure column

The query structure column.

Retrieve all

Retrieve all.

Target structure table

The target structure table.

with all user defined fields

With all user defined fields.

Search type

Sets different search options according to a predefined search type.

Max. hits

Sets the maximum count of result.

Max. time

Sets the maximum amount of time.

Return non-hits(inverse result set)

Determines if the inverse of the hit set should be returned.

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).

Dissimilarity threshold

Sets the threshold for similarity searches.

Chem Terms

Sets the Chemical Terms filtering expression.

Filter Query

Sets the Filter Query. SQL conditional expression for filtering (e.g. cd_id>1000).

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