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Escape character to use for parsing the values of mol and cell parameters. N/A. importEnabled, Allow or forbid molecule import. If this parameter is false ...
Other Parameters. Parameter, Meaning, Default. escapeChar, Escape character to use for parsing the value of the mol parameter. N/A. abbrevgroups, Replacing the ...
... molecule properties) in the mol column. If you do not want to store the whole sdf file content in the mol column just the molecule information (until the M ...
Properties of ECFPs · They represent molecular structures by means of circular atom neighborhoods. · They can be very rapidly calculated. · Their features ...
Let's suppose we have our own calculation that assigns numbers to every atom as a result, plus some molecular values or other information we would like to ...
To save information about multipage molecular document, properties are stored as attached data. The field names and values are the following:
Molecular Descriptors license may be required. By specifying parameters through a temporary database table. Specify the MD parameters in a table: Create a ...
You can create a trigger to update the fingerprint column in the fingerprint table (fptable) when new records are inserted into the molecule table (moltable).
Molecular descriptor sets. Molecular descriptors are powerful tools for the approximation of selected properties of chemical structures in an easy-to-handle ...
Parameters, Description. M, molfile, molfile: the molecule URL or the molecule itself (inline) in a molecule file format (MDL mol, compressed mol, MRV, and so ...