• Personalized Inventory Management: Your custom inventory is managed on-site by a dedicated inventory manager, ensuring seamless integration and maintenance.
   
• Enhanced Retrosynthesis: Compounds from your custom inventory can be used as starting materials, just like commercially available or published compounds. This flexibility allows for more tailored retrosynthesis analyses.
   
• Configurable Options: Set the maximum molecular weight for inventory compounds to be considered in your analyses, with a default value of 1000 g/mol. You can also choose whether these compounds should be included as starting materials.
   
• Visual Analysis Tools:
  • In Path View, custom inventory compounds are marked with a Chemistry Glassware Set tag. If they are also part of our published databases, they display a Book tag and a popularity score badge.
     
  • In Graph View, these compounds appear as dark blue nodes, with a green checkmark if they are part of the Sigma-Aldrich^® catalog.
     
• Detailed Compound Information: Access comprehensive details about each inventory compound through the Molecule Card, including site-specific data like compound ID and location.
   
• Seamless Data Export: When you download pathways as PDF or RDF reports, all associated data with inventory compounds is included, ensuring you have all the information you need.

Inventory File Preparation

• Upload your inventory as a CSV or SD file, with one column for structures in SMILES or mol format.
• Ensure each compound has a unique identifier and up to 20 associated data fields.
• Avoid transferring confidential data and ensure no salts, hydrates, or charged molecules are included.
   

Data Security
To protect sensitive information, SYNTHIA™ employs a robust data security protocol using cryptographic hashing:

• Hashing Structures: Before uploading, structures are converted using a cryptographic hash function, ensuring that sensitive information is not sent to our server. This one-way function cannot be inverted, providing an additional layer of security.
   
• Encryption Tool: Users can download an encryption tool from the SYNTHIA™ application to hash structures locally. This tool is compatible with both Windows and MacOS.

Get Started
Enhance your synthesis planning with SYNTHIA™'s Custom Inventory feature. For more information or assistance, please contact our support team.