Contacts
Mingxun Wang [miw023 at cs.ucsd.edu]Summary
Similarly to comparative genomics’ study of how changes in genomic features can relate to phenotypic evolution, molecular networking analyzes how changes in MS/MS fragmentation can inform about differences in compound structure. Thus for spectra in a dataset, similar MS/MS spectra are found and represented as a network. This network is a powerful organization and visualization tool as it allows spectra to be grouped together in chemical classes, giving researchers a much more guided approach to identify novel molecular. The use of molecular networking has allowed for orders of magnitude gains in speedup of small molecule compound identification.
Documentation
Molecular Networking Documentation
Copyright 2007,2008,2009 The Regents of the University of California
All Rights Reserved
Permission to use, copy, modify and distribute any part of this
program for educational, research and non-profit purposes, by non-profit
institutions only, without fee, and without a written agreement is hereby
granted, provided that the above copyright notice, this paragraph and
the following three paragraphs appear in all copies.
Those desiring to incorporate this work into commercial
products or use for commercial purposes should contact the Technology
Transfer & Intellectual Property Services, University of California,
San Diego, 9500 Gilman Drive, Mail Code 0910, La Jolla, CA 92093-0910,
Ph: (858) 534-5815, FAX: (858) 534-7345, E-MAIL:invent@ucsd.edu.
IN NO EVENT SHALL THE UNIVERSITY OF CALIFORNIA BE LIABLE TO ANY PARTY
FOR DIRECT, INDIRECT, SPECIAL, INCIDENTAL, OR CONSEQUENTIAL DAMAGES,
INCLUDING LOST PROFITS, ARISING OUT OF THE USE OF THIS SOFTWARE, EVEN
IF THE UNIVERSITY OF CALIFORNIA HAS BEEN ADVISED OF THE POSSIBILITY
OF SUCH DAMAGE.
THE SOFTWARE PROVIDED HEREIN IS ON AN “AS IS” BASIS, AND THE UNIVERSITY
OF CALIFORNIA HAS NO OBLIGATION TO PROVIDE MAINTENANCE, SUPPORT, UPDATES,
ENHANCEMENTS, OR MODIFICATIONS. THE UNIVERSITY OF CALIFORNIA MAKES NO
REPRESENTATIONS AND EXTENDS NO WARRANTIES OF ANY KIND, EITHER IMPLIED OR
EXPRESS, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF
MERCHANTABILITY OR FITNESS FOR A PARTICULAR PURPOSE, OR THAT THE USE OF
THE SOFTWARE WILL NOT INFRINGE ANY PATENT, TRADEMARK OR OTHER RIGHTS.