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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 ...
JPC perf_out parameters · Deprecated API · Custom Structure Checker and Fixer ... CREATE TABLE moltable(mol MOLECULE('sample'), id INTEGER); CREATE INDEX ...
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 ...
) VALUES (value1,value2,...);. Copy. Example : INSERT INTO test (id,mol) VALUES (1,'c1ccccc1');. Copy. MOLECULE INDEX. For indexing a column containing chemical ...
JavaBeans Parameters · Display Parameters · Structure Display Parameters ... Use these instead of the mol parameter. border, Border width in pixels ...
... parameters for the calculation JChemEntityCapability jchem = DIFUtilities. ... values()) { MarvinStructure mol = row[molFld.id] Molecule cxnMol = mol ...
Generic Molecular Descriptor Support · FAQ · History of Changes · Getting Help and ... Parameters: operator_name: name of the user defined PL/SQL operator ...
INSERT INTO <your_table> (mol, ... ) VALUES (sample_standardize(<your structure>), ... ) Copy. Store both the not standardized and the standardized structures:.
Molconvert Options ; -c "f1 OP value&f2 OP value..." Filtering by the values of fields in the case of SDF import. OP may be: =,<,>,<=,>= ; --mol-fields-to-records ...