Total results: 100
The following table shows the details. Name, MDL Molfile, SMARTS, MarvinSketch parameter. any atom, yes (A), yes (*), queryAtoms ...
However, if the --hitOrdering:g parameter is set, then this ordering is global over all search hits, in the order of R-atom numbers (R1 atom matches are ...
Property, Description, Tool, Available values. Total Hydrogen (H), The total number of hydrogen substituents. .H+ and .H-, H0-H4 and H4-H0.
Query Guide. Organic chemistry grew rapidly during the 20th century, as evidenced by the increase in the number of known organic compounds from ...
The visibility of the chiral flag can be turned on/off in the View settings dialog. Depending on the file format, a molecule which has wedge bonds without a ...
The following SQL query returns the number of the structures that contain at least one benzene ring and have logP values greater than 9 SELECT count(*) FROM ...
Query molecules may contain query atoms and bonds. ... See more details on fingerprints in the section Parameters for Generating Chemical Hashed Fingerprints.
Refer to the JChem Query Guide for a detailed description of search options and query features. ... Values: d Default: its value is y in almost every cases. There ...
Display Parameters. Parameter, Meaning, Default. addRemoveHatomsEnabled, Add ... queryAtoms, A comma-separated list of query atoms and properties. any - any ...
... queryAtom must match to targetAtom only or queryAtoms[0] must match. to ... Use the following command line parameter: --distinctFirstAtomMatching:n/y Default ...