EXPORT ANALYSIS RESULTS

Export Pathways in Path View

To export a pathway, open the three-dot menu on top of the pathway, click ‘Download’, and select a format from the menu. 

• Report (PDF): Generates a PDF report including the analysis parameters, the pathway node scheme,  and a description of each reaction (reaction scheme, protection requirements, typical conditions, and illustrative references). Click ‘Download’ to open a preview window. After reviewing the data, select ‘Export to PDF’ to download the data on your computer.
• Image (SVG): Saves an image of the pathway as it is displayed in Pathway View.
• Reactions (RDF): Generates a Reaction Data File (RDF), which saves reactions in mol file format with all associated data.

Export Pathways in Graph View

You can export whole or partial pathways in Graph view.

• Select the reactions you want to save by opening the reaction node furthest away from the target,
• Click on the ‘Pathway’ icon at the lower left of the reaction pop-up window,
• The selected path is highlighted in dark blue,

• Click the ‘Download’ icon in the upper right of the results screen to open a preview window,
• After reviewing the data, select ‘Export to PDF’ to download the data on your computer.

Tip: If you have expanded nodes in a Step-by-Step Retrosynthetic analysis and would like to print a whole pathway, open the node furthest away from the target and click on the path icon. This will highlight the whole pathway in dark blue.

Note: When printed from Graph view, the reactions in the PDF are not listed in any specific order.

Results in PDF Format

The PDF report includes a cover page listing the search parameters that were used to obtain the selected pathways. This is useful in case you want to run the search again in the future.

The selected pathways are listed from the lowest path score to the highest. The description for each pathway starts with a screenshot of the nodes graph. 

The pathway steps progress from starting materials to the target molecule. For each step, the chemical scheme of the reaction, and the reaction details are described. Details for each reaction include the name of the reaction, typical conditions, protection requirements, yield, and illustrative references.

Results in RDF Format

A Reaction Data File (RDF) saves pathways as a list of records, with each record representing a reaction. The reactions are saved in mol file format. Their associated data, such as reaction name, typical conditions, and illustrative references, will also be included in the file.

RDFs can be opened in Excel with the help of a proper add-in (such as JChem or ChemFinder for Excel), or in applications such as MarvinView or ChemFinder.