[Metabolomics] FW: Compound Discoverer 2.1 is now installed on MSCFPP

[Ben Crossett]

Hi Guys,

I have just upgraded our version of Compound Discovered to version 2.1.  See below for the new features which come with this upgrade from version 2.0

It is available on one of the MSCFPP virtual  PCs.  If you don't have access and would like to give it a try drop me a line.

Kind regards,

Ben

From: DEBRE CD Support [mailto:CD.support at thermofisher.com]
Sent: Wednesday, 9 August 2017 7:25 AM
To: DEBRE CD Support <CD.support at thermofisher.com>
Subject: Compound Discoverer 2.1 is now available for download

Dear Customer,
 The following product update is now available:
 Compound Discoverer 2.1
 New features in version 2.1 include:

-        Assign Compound Annotation node automatically populates the compound name, elemental composition, and structure fields based on different sources, for example, predicted elemental composition, mzCloud, local databases, ChemSpider(tm), or BioCyc.
-        FISh Scoring/fragments annotation can now be calculated in batch mode on all selected chemical structures, for example, on all ChemSpider hits for an unknown compound.
-        mzCloud similarity search.
-        mzVault(tm) application to support custom spectral libraries as well as a local version of mzCloud(tm)
-        Improved algorithm predicts elemental composition based on fine isotopic pattern (MS1) and MS2 data
-        Partial Least Squares Discriminant Analysis (PLS-DA) is important for Biomarker Discovery and metabolomics.
-        QC-based Area Correction, a normalization method that uses pooled samples as QCs to calculate an area correction curve independently for each compound and filters compounds based on QC criteria.
-        Compound Class FISh Scoring node detects and scores similarities to user-defined compound classes based on common fragments
-        Pathway Mapping using BioCyc (beta) with support for quantitative values/statistics within the pathway ("omics overlay").
-        New options to create, reset, apply, and manage custom layouts of a result display.
-        New export options to other Thermo Scientific(tm) applications:

To download this update, log in to the Thermo Fisher Scientific Download Portal:
 https://protect-au.mimecast.com/s/M41aBLUQ4GVtw?domain=thermo.flexnetoperations.com<https://protect-au.mimecast.com/s/Ov16Blf2QOzse?domain=now.eloqua.com>

If you forgot your password, use Password Finder to reset it:
https://protect-au.mimecast.com/s/9OVQB5UqNLMtZ?domain=thermo.flexnetoperations.com<https://protect-au.mimecast.com/s/lqmYBbSLzgXCe?domain=now.eloqua.com>

In the TMO-Prospects account, go to Demo folder | Compound Discoverer 2.1 Demo | download Compound Discoverer 2.1 Demo.zip. The zip file includes the following instructions:

1)     For Compound Discoverer 2.1 demo version (good for 60 days after license activation), use the "Instructions_CompoundDiscoverer_2_1_Demo_Flexera_July2017.docx"

2)     For free upgrade from existing Compound Discoverer 2.0 full version to Compound Discoverer 2.1 full version, use the "Instructions_CompoundDiscoverer_2_1_UpgradeFrom2_0_Flexera_July2017.docx"

For licensing questions or Flexera issues, contact customer support at ThermoMSLicensing at thermofisher.com<mailto:ThermoMSLicensing at thermofisher.com>.
Thank you for choosing Thermo Scientific products and services.

Thermo Fisher Scientific Customer Service

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.sydney.edu.au/pipermail/metabolomics/attachments/20170809/95459fdb/attachment.html>