Test what’s probable
SYNTHIA™ Retrosynthesis Software
Workflow
Quickly go from imagining what‘s possible to testing what‘s probable
Multiple search modes
Whether you are looking to brainstorm all of the creative ways available to synthesize your target molecule, or you simply want to quickly analyze complete and viable pathways to your targets, SYNTHIA™ Retrosynthesis Software has a search mode that will fit your needs.
1. Automatic Retrosynthesis
Identify pathways that trace back to commercially available or known building blocks, or even your own proprietary inventory. Find unique pathways by customizing your search parameters to define priorities for ranking results and eliminate or promote reactions, reagents or classes of molecules.
2. Automatic Batch Analysis
Do you have more than one molecule you need to run? Use this analysis mode to run your molecules all at once using the same search criteria so that you can cross compare your results.
3. Manual Retrosynthesis
If you prefer to take a more hands on approach this analysis mode is for you. Evaluate all retrosynthetic options at a given step and manually select which reaction works for you. Then continue moving iteratively back through the graph of possibilities until you find appropriate stopping points.
Identify Novel Compounds
Draw your target molecule in the editor, paste SMILES, search by name or CAS registry number.
- Define stereochemistry
- Designate bonds that should be locked
- Promote desired bond disconnections
Customize your Analysis
Design customized pathways according to your preferences starting from commercially available starting materials, building blocks or synthons. Increase efficiency and reduce costs by quickly finding routes that start from available building blocks in your proprietary inventory.
Define your analysis criteria based on your synthesis objectives:
- Use preset or customized search parameters
- Favor pathways using preferred reactions
- Define starting materials, or intermediates
- Hide or avoid specific reactions and reagents
- Use in-house inventory and set price limits for commercial compounds
Expand upon the possibilities
SYNTHIA™ Retrosynthesis Software provides an unbiased, objective, computer-aided approach that enhances a chemist’s intuition.
- Sort Results by viability score, number of steps, ‘protecting group’ requirements or by pathway similarity.
- Filter Results to remove unwanted reactions, focus on interesting intermediates, or limit number of protecting groups.
- View Structures or Graph Nodes to compare multiple pathways at once or to see which starting materials, intermediates and reactions are repeated across pathways.
- Select a Pathway and can quickly move to benchtop execution by accessing commercially available reagents directly through the software.
- See a Detailed Schematic View of individual pathways, including structures, reaction names and conditions
- Easily Build & Save Lists of molecules or functional groups to frequently favor or avoid
- Connect Scientific Tools using enhanced APIs for integrated workflow
- Receive Support for batch upload and analysis using industry standard file format
