Resources – CD 3.0
Here you can find scientific posters, presentations, and applications highlighting the use of Compound Discoverer 3.0 for various small molecule applications.
Tips and Suggestions
Click here to download a list of suggestions for setting the ChemSpider databases (Data Sources) when using the Search ChemSpider node in Compound Discoverer.
Posters / App Notes
Overview of the mzLogic algorithm for ranking compound database hits (ASMS 2018)
Updated E&L Unknown Workflow Templates
ChemSpider recently removed PubChem as a data source. Therefore, PubChem is no longer available in the Search ChemSpider node.
Please click on the link below to download the zip file which includes the two updated workflow templates, extract and replace in the following folder:
C:\Users\Public\Documents\Thermo\Compound Discoverer 3.0\Common Templates\WorkflowTemplates\E and L