Total results: 73
Name, MDL Molfile, SMARTS, MarvinSketch parameter. any atom, yes (A), yes (*), queryAtoms=any. heteroatom, yes (Q), yes (!C!H), queryAtoms=hetero.
UNK and the possibly adjacent ring query atoms should match full ring ... The following table shows some examples (p K a values are shown at target atoms).
Display Parameters. Parameter, Meaning, Default. addRemoveHatomsEnabled, Add ... queryAtoms, A comma-separated list of query atoms and properties. any - any ...
All query atoms and extra bond types can be enabled by omitting the queryAtoms , atomStrings , and extraBonds parameters. "Cis or Unspecified" and "Trans or ...
Use the following command line parameter ... Specifies an extra prerequisite of the structure search that queryAtom must match to targetAtom only or queryAtoms[0] ...
Query atoms can be placed onto the canvas by keyboard shortcut or through their combo button on the Atoms toolbar. Pseudo atoms are also available among ...
Optimize query atom order (or performance). Sets option for rearranging query atoms to increase search performance. ... Use the following command line parameter ...
... query atoms. MolSearch API. findAll(): MolSearch searcher = new MolSearch ... Use the following command line parameter: --allHits Instead of checking ...
... Query atoms combo box, or by pressing the . key. The table below lists all the available properties along with a description and available values. Property ...
Oracle users may also use JChem Cartridge for Oracle to perform search and other operations via SQL commands. Comments: Query molecules may contain query atoms ...