AI-Driven Retrosynthesis Platform
Finding the best synthetic strategy
Spaya is our cutting-edge AI-driven retrosynthesis platform that transforms target compounds into commercially available starting materials in seconds. With Spaya, you can explore all plausible synthetic routes in real-time, making your research faster and more efficient.
Fastest platform on the market
Spaya, delivers real-time results, enabling you to view your retrosynthetic routes in just seconds.
Friendly and collaborative user interface
Designed to enhance productivity, our user interface ensures you an intuitive and engaging experience.
Customizable Advanced Synthesis constraints
Discover retrosynthesis routes tailored to your preferences, including steps, providers, pricing, delivery times, named reactions, intermediates, substructures, and more.
How it works
Unique data-driven approach, combining reinforcement learning and monte-carlo tree search to identify new synthetic routes at unprecedented speed.
Draw a molecule or enter a SMILES
Select your preferred options
- +35 partnerships with providers
- +2000 name reactions
- Intermediates and substructures can be imposed or forbidden
- The first bond disconnection can be specified
Browse Results
With a proprietary scoring system to identify the top routes, Spaya provides access to references for each route and allows for easy information export
A superior Technology for Synthetic Planning
Explore how Spaya can support your retrosynthesis workflow
Reaction template
A template-based neural network trained on 6M reactions.
Chemo-selectivity
Protection and deprotection strategies enable chemo-selectivity.
Regio-selectivity
A neural network predicts the most probable regioisomer.
MCTS
Monte Carlo Tree Search algorithm quickly propagates retrosynthesis routes back to commercially available compounds.
Chirality
Stereocenters are taken from chiral building blocks applying chiral pool approach.
Ranking
A proprietary scoring function to rank the final selected routes.
Spaya API Suite
Harness the power of Spaya API for high-throughput scoring of synthetic feasibility. Input up to hundreds of thousands of molecules and get instant scores:
RScore
Iktos’s proprietary score of synthetic accessibility.
Number of Steps
The shortest route's step count.
RSpred Score
A fast estimation of synthetic feasibility, predicting RScore without running a retrosynthesis.
Easily integrate our technology into your workflow using platforms like Knime, Pipeline Pilot, Jupyter Notebook, and more. Available on AWS with autoscaling or on your VPC.
Customize Spaya with your data
In a couple of week Spaya can be retrained with your reaction data, your building, intermediate, inventory.
Strategic Partnership
Iktos's leading-edge retrosynthesis AI technology partners with Elsevier, combining the world’s largest chemistry database, Reaxys, with cutting-edge AI from Iktos to create new predictive retrosynthesis and synthetic accessibility tools.
How to run retrosynthesis with Spaya?
Access short tutorials, webinars and publications to learn about Spaya at your own pace
Get Started Today
Explore how Iktos’s groundbreaking solutions can accelerate your drug discovery projects. Contact us to learn more and request a demo of our platforms.
