Select a Target Molecule

You can either retrieve a target molecule from one of our databases of commercial or published compounds, or you can draw a structure in the integrated molecule editor.

Draw a Compound

There are multiple ways to add a compound in the molecule editor, which is found under the ‘Draw’ tab:

• Draw the target structure using the drawing tools of the molecule editor
• Paste a structure copied from a separate molecule editor
• Paste a SMILES string into the text bar under the molecule editor, or directly in the editor; it will be automatically converted into a structure

• Import a structure from a file saved in a compatible format
  a.   Click the ‘Folder’ icon in the molecule editor
  b.   Select ‘Open from File’ to open a file explorer

c.   Retrieve your saved file and click ‘Open’ 
d.   Click on ‘Open as New Project’ 

e. The structure is automatically uploaded in the molecule editor

Note: Make sure there is only one structure entered as target molecule. SYNTHIA™ will not be able to find results for multiple fragments such as salts, or hydrates. Other incompatible molecules include molecules containing heavy metals, ferrocenes, catalysts, or inorganic compounds.

Search for a Known Compound

SYNTHIA™ contains two databases of known compounds:

• Commercially available compounds from the extensive Sigma-Aldrich® catalog
• Compounds published in scientific literature

If your compound is included in one of these databases, you can retrieve it by searching for its name, SMILES string, or CAS number.

• Click on the tab corresponding to the category of search you want to perform (‘Name’, ‘SMILES’, ‘CAS’)

• Type or paste the compound’s name, SMILES string, or CAS number in the search bar
• Click on the ‘Search’ button, or press enter to generate a list of matching structures
• Click on the relevant structure from the list to select it

• The selected structure is uploaded in the molecule editor in case you need to make any modifications to it

Note: Make sure there is only one structure entered as target molecule. SYNTHIA™ will not be able to find results for multiple fragments such as salts, or hydrates. Other incompatible molecules include molecules containing heavy metals, ferrocenes, catalysts, or inorganic compounds.