Total results: 135
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 ...
Query Guide. Organic chemistry grew rapidly during the 20th century, as evidenced by the increase in the number of known organic compounds from ...
Property, Description, Tool, Available values. Total Hydrogen (H), The total number of hydrogen substituents. .H+ and .H-, H0-H4 and H4-H0.
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 ...
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 ...
... settings. Here you find a guide on how to configure. Cache size settings. JVM memory settings. PostgreSQL settings Parallel query execution. The performance of ...
Query molecules may contain query atoms and bonds. ... See more details on fingerprints in the section Parameters for Generating Chemical Hashed Fingerprints.
... parameter: --distinctFirstAtomMatching:n/y Default value is n. Copy. Standardization configuration. Sets standardizer object to be used for the query and ...
Targets containing only query atoms beside specific structures can be searched by query side homology groups. Query atoms are not enumerated with the Markush ...