CUSTOM INVENTORY

We offer our customers the option of adding their own chemical inventory to SYNTHIA™. Compounds from a custom inventory may provide additional stopping points for your retrosynthesis analyses and return shorter pathways or more customized results.

Your custom inventory is downloaded and maintained on your site by a dedicated inventory manager.

Configure Inventory Compounds in Starting Materials

A custom inventory is a list of compounds available at the user’s site. These compounds can be used as stopping points for starting materials, just like buyable or known compounds.

When setting up an analysis, inventory compounds can be customized as starting materials in the ‘Starting Materials’ tab.

Inventory

• List of compounds available in a custom inventory at the user’s site.
• You can select the maximum molecular weight for an inventory compound to be considered a stopping point.
• Preset value is 1000 g/mol.

You can decide if inventory compounds should be considered as starting materials in your analysis. Uncheck the corresponding box if you do not want to use them as stopping points. Uncheck the boxes in front of buyable and known compounds, if you want to use only inventory compounds as stopping points. 

View Inventory Compounds in Analysis Results

In Path View

Compounds from a custom inventory display a Chemistry Glassware Set tag next to them. Compounds that also belong to one of our published compound databases will display a Book tag and their popularity score badge, meaning the number of times the compound has been included in a published reaction.

In Graph View

Compounds from a custom inventory are identified as dark blue nodes. Compounds that also belong to the Sigma-Aldrich® catalog will display a green checkmark.

Information about Inventory Compounds

To see more details about an inventory compound, open its Molecule Card. 

In addition to the regular data (basic information) available for all types of compounds, the inventory includes additional details about inventory compounds, such as inventory site, site-specific compound ID, or location of compound. Inventory information is unique for each site.

Please contact your inventory manager for related questions.