Total results: 370
Other Parameters. Parameter, Meaning, Default. escapeChar, Escape character to use for parsing the value of the mol parameter. N/A. abbrevgroups, Replacing the ...
Molecular Descriptors license may be required. By specifying parameters through a temporary database table. Specify the MD parameters in a table: Create a ...
ECFPs provide a rich set of configuration parameters. They can be specified in an XML file, just like the configuration of other molecular descriptors. Main ...
It is suggested that relevance values be stored in the table for further query. It is also suggested that an index is created on the relevance column and ...
) VALUES (value1,value2,...);. Copy. Example : INSERT INTO test (id,mol) VALUES (1,'c1ccccc1');. Copy. MOLECULE INDEX. For indexing a column containing chemical ...
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 ...
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 ...
Parameters: operator_name: name of the user defined PL/SQL operator ... 0.: actual value of the cd_smiles column1.: actual value of the cd_molweight column.
param, Parameters of the components. paramH, Parameters for the header row. cell0cell1cell2... Contents of the cells. Use these instead of the mol parameter.
... parameters for the calculation JChemEntityCapability jchem = DIFUtilities. ... values()) { MarvinStructure mol = row[molFld.id] Molecule cxnMol = mol ...