Export Library

You can export a list of target molecules or an individual pathway for any target molecule.

Export Target Molecules

Library Target Molecules can be exported individually by using the ‘Download’ icon on their Molecule Tile. Additionally, selected target molecules can by exported using the ‘Download’ icon from the Multiple Molecules Actions three-dot menu. 

You can choose between two formats to export molecules:

• Image (HTML): Saves an image displaying the Molecule Tiles for the selected molecules.
• Structure (CSV): Creates an Excel file with the structures expressed as SMILES stings, along with their library number and similarity score.

Export Pathway

The synthetic pathway for any target molecule can also be exported. Use the ‘Download’ icon on the corresponding Molecule Tile.

You can choose between three formats to export a synthetic pathway:

• Report (PDF): Generates a PDF report including disconnection scheme, node representation of the pathway, reaction scheme, a description of each reaction (reaction scheme, protection requirements, typical conditions, and illustrative references), a list of starting materials, and the analysis parameters.
• Image (SVG): Saves an image of the pathway as it is displayed in Expanded Path View.
• Reactions (RDF): Generates a Reaction Data File (RDF), which saves reactions in mol file format with all associated data.