Finding the best synthetic strategy

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

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

Friendly and collaborative user interface

Designed to enhance productivity, our user interface ensures you an intuitive and engaging experience.

Customizable Advanced Synthesis constraints

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 unprecedent speed.

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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
+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

A superior Technology for Synthetic Planning

Explore how Spaya can support your retrosynthesis workflow

Reaction template

Reaction template


A template-based neural network trained on 6M reactions.

Chemo-selectivity

Chemo-selectivity


Protection and deprotection strategies enable chemo-selectivity. 

Regio-selectivity

Regio-selectivity


A neural network predicts the most probable regioisomer.

MCTS

MCTS


Monte Carlo Tree Search algorithm quickly propagates retrosynthesis routes back to commercially available compounds.

Chirality

Chirality


Stereocenters are taken from chiral building blocks applying chiral pool approach.

Ranking

Ranking


A proprietary scoring function to rank the final selected routes.

How it works
Spaya API Suite

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

Customize Spaya with your data

In a couple of week Spaya can be retrained with your reaction data, your building, intermediate, inventory.

Strategic Partnership

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.

why iktos

Leading the Way in AI-Driven Drug Discovery

Proven Track Record

Over 60 successful collaborations with leading pharmaceutical, biotech, and academic institutions.

Broad Experience

Expertise across various target families and therapeutic areas, from hit discovery to lead optimization.

Expert Team

A highly skilled team specializing in AI-driven drug design, delivering innovative solutions and valuable results.

Proven Track Record
Broad Experience
Expert Team

Our in-house Pipeline

Our in-house pipeline showcases our capability to apply our AI and robotics technology across various stages of drug development, from target identification to preclinical candidate.

Target / PathwayTherapeutic AreasHit DiscoveryHit DiscoveryLead OptimizationPreclinical Candidate
MTHFD2Inflammation auto-immune diseases
Hit DiscoveryHit DiscoveryLead OptimizationPreclinical Candidate
Confidential TargetOncology
Hit DiscoveryHit DiscoveryLead OptimizationPreclinical Candidate
Confidential TargetOncology
Hit DiscoveryHit DiscoveryLead OptimizationPreclinical Candidate
Confidential TargetImmuno-oncology
Hit DiscoveryHit DiscoveryLead OptimizationPreclinical Candidate

Partner with Iktos

Embark with us

Since our inception in 2016, we have consistently delivered value through over 60+ collaborations with leading pharmaceutical, biotech, and academic institutions. Our highly skilled team is dedicated to pushing the boundaries of AI-driven drug design, making us a trusted partner in your molecular odyssey.

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.

Get Started Today