Merck

SYNTHIA™
Retrosynthesis Software

Pioneer Pathway Discovery

SYNTHIA™ retrosynthesis software draws from a profound chemical abstracts database of advanced organic synthesis rules and algorithms to quickly identify viable synthesis pathways and successfully synthesize target molecules.

  • Accelerate the rate of pathway discovery from weeks to minutes
  • Explore the most cost-effective routes to chemical targets from commercial starting materials or custom inventory
  • Generate new ideas and intellectual property for drug discovery

Custom ​Inventory Integration

SYNTHIA™ retrosynthesis software can now accelerate your research even more by allowing you to plan pathways back to proprietary inventory, not just to commercially available building blocks.

​Save time:​

  • Find shorter, more efficient synthesis pathways that are specific to bench stock and research requirements​

​Start immediately: ​

  • Use compounds already on the shelf instead of ordering and waiting for chemicals​

Generate unique intellectual property:​

  • Pursue distinct pathways ​
  • Information can be uploaded and updated (encrypted) in real-time as often as needed​
Software Features

licensing packages that suit your needs

We offer customizable floating license packages and comprehensive service support for this retrosynthetic planning software. Custom quotations are also available upon request.

Experience How Retrosynthesis Software
Can Augment Your Expertise

Engineered by organic chemists and computer scientists over the course of 15 years, first as Chematica, now known as SYNTHIA™, our retrosynthesis planning tool has been validated on the bench, resulting in proven reaction path optimization. Read more about how SYNTHIA™ retrosynthesis software is supporting in pioneering organic synthesis research.

Related Product Resources

Efficient Syntheses of Diverse, Medicinally Relevant Targets Planned by Computer and Executed in the Laboratory
Navigating Around Patented Routes by Preserving Specific Motifs Along Computer-Planned Retrosynthetic Pathways
Algorithmic Discovery of Tactical Combinations for Advanced Organic Syntheses
Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir
Reinforcing the supply chain of COVID-19 therapeutics with expert-coded retrosynthetic software
Chematica: A Story of Computer Code That Started to Think like a Chemist
Brochure: Synthia™ Retrosynthesis Software
Webinar: Discover how SYNTHIA™ was developed and validated

Related Applications

Reaction Design & Optimization
Chemical reaction design and optimization in organic synthesis aims to precisely alter reaction parameters to achieve optimum results in finding pathways to target molecules.
Cross-Coupling
Cross-coupling is a common reaction in organic chemistry for the creation of C-C, C-N, and C-O bonds with the aid of a metal catalyst.
Metathesis
Olefin metathesis involves an organic reaction that redistributes fragments of alkenes (olefins) by cleavage and transformation of carbon-carbon double bonds.
Fluorination
Fluorination is the introduction of fluorine to a compound via electrophilic fluorination, nucleophilic fluorination, difluoromethylation, trifluoromethylation, or perfluoroalkylation.
Organic Reaction Toolbox
An organic reaction toolbox provides structure-activity relationships for unique chemical reactions to optimally design and control small molecule synthesis.
C–H Functionalization
C–H functionalization is the reliable and predictable conversion of a C–H into a C–C, C–N, C–O, or C–X bond in a selective and controlled fashion.

Related Services

SYNTHIA™ Retrosynthesis Software
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