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SYNTHIA™ Retrosynthesis Software

ACCELERATE YOUR RESEARCH AND RATE OF PATHWAY DISCOVERY FROM WEEKS TO MINUTES

SYNTHIA™ Retrosynthesis Software allows you to quickly discover novel pathways for new and published target molecules, as well as entire libraries of targets. 

The SYNTHIA™ software platform assembles synthetic routes using expert-coded rules created based on proven chemical transformations. One of the key advancements of SYNTHIA™ is its easy customization of search parameters to eliminate or promote reactions, reagents or classes of molecules. With a catalog of over 9 million commercially available starting materials and building blocks, SYNTHIA™ provides direct access to real-time local pricing and availability through the Sigma-Aldrich® web shop.

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QUICKLY GO FROM IMAGINING WHAT’S POSSIBLE TO TESTING WHAT’S PROBABLE​

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 and 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. ​
  • Directly link to commercially available and known starting materials with price information and/or 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.

SYNTHIA™ RETROSYNTHESIS SOFTWARE

SIMPLIFY ROUTE DESIGN

Quickly and efficiently scan hundreds of pathways to help

you identify the best option according to your needs.

SAVE TIME AND REDUCE COSTS

Explore the most cost-effective routes to your target molecules

with state of the art visualization and filtering options.

MEET PROJECT DEMANDS

Easily customize search parameters to eliminate or promote

reactions, reagents or classes of molecules.

GENERATE NEW IDEAS AND IP

Explore unique and innovative syntheses that may be unknown

for building your desired molecule.

QUICKLY BUILD A SHOPPING LIST

Easily generate a list of commercially available starting materials for your synthesis.

Discover More with SYNTHIA™ RETROSYNTHESIS SOFTWARE​

Experience how SYNTHIA™ retrosynthesis software enhances your expertise, saves time and reduces synthesis costs. ​

​We offer customizable license packages and comprehensive support. Contact us now to learn more.​

Proven & Published​ External Journal Articles 

In successful laboratory validation of a retrosynthetic design software, SYNTHIA™ found robust and reliable pathways that reduced synthetic steps, increased yields, and decreased costs for both known and novel targets.

Algorithmic Discovery of Tactical Combinations for Advanced Organic Syntheses

Reinforcing the Supply Chain of COVID-19 Therapeutics with Expert-coded Retrosynthetic Software 

Artificial Intelligence for Retrosynthetic Planning Needs Both Data and Expert Knowledge

Computer-aided key step generation in alkaloid total synthesis

Strategic elements in computer-assisted retrosynthesis: A case study of the pupukeanane natural products.

Reinforcing the supply chain of umifenovir and other antiviral drugs with retrosynthetic software

Computational planning of the synthesis of complex natural products

Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir

Algorithmic Discovery of Tactical Combinations for Advanced Organic Syntheses

Navigating around Patented Routes by Preserving Specific Motifs along Computer-Planned Retrosynthetic Pathways

Method of synthesizing chemical compounds

Syntheses of Diverse, Medicinally Relevant Targets Planned by Computer and Executed in the Laboratory

Screenshots

Slide 1 of 3
Computer monitor displaying a user interface from SYNTHIA™ Retrosynthesis Software with multiple pathways for chemical synthesis analysis.

Figure 1.SYNTHIA™ user interface

Screen view of SYNTHIA™ Retrosynthesis Software showing a detailed pathway for chemical compound synthesis.

Figure 2.Detailed pathway for chemical compound synthesis

Visualization of a complex network graph on SYNTHIA™ Retrosynthesis Software, illustrating molecular interactions and pathways. We call it Pathway Flower.

Figure 3.Complex network graph, illustrating molecular interactions and pathways

Related Video

SYNTHIA™ Shared Path Libary

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