Note: Analysis typically takes between 1 and 5 minutes. Results will automatically load when ready.
** Be sure to click "Submit Job".
** Note: Analysis typically takes between 1 and 5 minutes.
If you have technical issues with the site, you can contact support at: aetl-list (at) nd (dot) edu.
Notes
Note 1: More than 'Maximum Number of Output Rings' may be returned in
the event of a tie (multiple rings with the same number of bridged atoms).
A description of the Maximally Bridged Ring Detection algorithm will appear in Marth CJ, Gallego GM,
Lee JC, Lebold TP, Kulyk S, Kuo K, Qin J, Lilien R, Sarpong R,
"Network Analysis Guided Synthesis of Weisaconitine D and Liljestrandinine" [Nature 2015, 528, 493–498].
Visualization incorporates code from 3Dmol which incorporates code from GLmol, Three.js, and jQuery and is covered by a BSD style license [Rego, Koes, "3Dmol.js: Molecular Visualization with WebGL,"
Bioinformatics, 31(8):1322-1324 (2015)]. Ring detection incorporates code from CDK (Chemistry Development Kit) which is distributed via a GNU Lesser Public General License [Steinbeck, Han, Kuhn, Horlacher,
Luttmann, Willighagen, "The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics," J. Chem. Inf. Comput. Sci., 43(2):493-500 (2003)].