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Synthia™ Organic Retrosynthesis Software

Retrosynthesis is a common organic chemistry research application in drug discovery that starts with a target molecule and works iteratively backwards to potential starting compounds. Typically, organic chemists have relied on chemistry rules published in scientific literature to incorporate feasible series of chemical reactions and reagents in their synthetic route planning. However, this essential process in synthetic chemistry can be time-consuming and inefficient.

SYNTHIA™ retrosynthesis software can accelerate your research and rate of pathway discovery from weeks to minutes.

Hand-coded by chemists and engineered by computer scientists, this synthetic planning tool draws from a profound chemical abstracts database of advanced organic synthesis rules and algorithms, based on years of work with Chematica, to navigate through the network of options. Computer-aided synthesis allows you to rapidly search for novel, efficient, and selective paths to generate synthetic routes to identified targets.



Our chemical synthesis planning tool recognizes incompatibilities and avoids nonviable synthetic steps that are possible but not practical. SYNTHIA™ retrosynthesis software accounts for stereoselectivity and regioselectivity, favoring a chemical reaction step that might be rare but necessary for certain transformations. Moreover, its artificial intelligence (AI) in chemistry capability considers two or more steps simultaneously to enable so-called tactical combinations of a pair of reaction steps, which first increases a molecule’s complexity and then simplifies it.

With this bench-validated retrosynthetic planning software, successfully design and plan routes for target molecules based on your requirements. Select the type of retrosynthesis analysis to be performed. Choose the target molecule from known and unknown compounds. Customize search parameters: set a price threshold, protecting group preferences, scoring functions, stop conditions, and many more options. SYNTHIA™ retrosynthesis software presents the user with the most promising options and shows a direct link to commercially available and known starting materials with price information and can even incorporate your custom inventory (patent pending). Easily filter, sort, compare, and analyze custom pathways by viewing detailed molecule structures or graphs to explore the most cost-effective routes to chemical targets.

Experience how SYNTHIA™ retrosynthesis software saves time and reduces costs by combining advanced computing and chemical knowledge to augment your expertise. We offer customizable floating license packages and comprehensive service support.

Imagine what’s possible, test the probable, and pioneer your pathway discovery with SYNTHIA™ retrosynthesis software.

SYNTHIA™ retrosynthesis software is a highly customizable platform that supports scientists with the unique needs of their project and safety needs:

  • Preferentially look for pathways with the least number of steps
  • Avoid unsafe/hazardous reactions, catalysts, and reagents
  • Search for pathways leading back to commercial building blocks within budget limitations