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Iktos

#5 of 30 in AI Drug Discovery Software

Iktos: A drug-discovery suite linking constrained molecule design to automated synthesis and testing. Ranked #5 of 30 in AI Drug Discovery Software by our editors (7.9/10); pricing: Pricing on request; best for teams combining molecular design with automated testing.

7.9/10Editor score
Iktos7.9 Visit Iktos

At a glance

  • Editor score
    7.9 / 10
  • Pricing
    Pricing on request
  • Best for
    Teams combining molecular design with automated testing
  • Target identification
    Yes
  • Founded
    2016 · Paris, France
  • Facts checked
    4 Oct 2026
  • Where it wins

    • Generates molecules against target product profile constraints
    • Combines SAR, ADMET, and multi-parameter compound scoring
    • Connects design with automated synthesis and biological testing workflows
  • Where it doesn't

    • Pricing is available through contact sales
    • The listed support channel is email
    • The platform's components and workflows may call for specialist drug-discovery teams

Our verdict on Iktos

Iktos brings molecule design, retrosynthesis, and laboratory automation into a drug-discovery suite for pharmaceutical, biotech, and academic teams. Makya supports ligand- and structure-based molecular modeling, with target product profile constraints, SAR and ADMET modeling, and multi-parameter optimization. Spaya generates and ranks retrosynthesis routes; its API also provides synthetic-feasibility scoring and route-step estimates. The overall offering is aimed at teams that want to connect computational design with synthesis and biological testing, rather than teams looking only for a standalone modeling tool.

The breadth of the workflow is its central distinction. Iktos describes a process spanning design, synthesis, purification, analysis, and biological testing, supported by robotics and orchestration tools. Custom synthesis constraints can account for suppliers, reactions, and intermediates. For teams with automated laboratory workflows, that link between proposed molecules and testing may be especially relevant. The platform also supports integrations with KNIME, Pipeline Pilot, Jupyter Notebook, and AWS. Teams should assess how those tools fit their existing workflows and whether they need the integrated synthesis and testing capabilities; a group seeking only route generation or molecular modeling may find the broader scope unnecessary.

Iktos offers the platform through a contact-sales model, and prospective customers are directed to request a demo or contact the company. The listed support channel is email. Spaya documentation describes AWS hosting or deployment on a customer's VPC, while the platform is listed as cloud-based; teams evaluating deployment should clarify which arrangement applies to their intended use. Iktos also offers drug-discovery collaborations, but the core product is most suited to mid-market and enterprise organizations with computational and experimental capabilities to connect. Smaller teams or buyers looking for self-serve pricing, or a narrow tool without laboratory automation, may prefer to compare alternatives.

Your product? Our editors can test Iktos in depth and publish a review, labelled as paid · from $99/mo →

Iktos pricing

Plans Pricing on request No free plan — trial or paid only. Prices checked 4 Oct 2026.
See plans on iktos.ai

Iktos fact sheet

Free planNot verified
Paid fromNot verified
Target identificationYes
Molecule designYes
Drug repurposingNot verified
Discovery scopeSuite
Deployment optionsBoth
Research publicationsYes
DeploymentCloud
PlatformsWeb
SupportEmail
Built forMid-market, Enterprise (editorial estimate)
Integrations4 integrations: KNIME, Pipeline Pilot, Jupyter Notebook, AWS
PricingPricing on request
Websiteiktos.ai
Facts checked4 Oct 2026

Iktos integrations

Iktos lists 4 integrations on its own site.

  • KNIME
  • Pipeline Pilot
  • Jupyter Notebook
  • AWS

Alternatives to Iktos

See all Iktos alternatives →

Iktos vs the competition

Compare Iktos with any tool side by side →

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Featured on iTechGuides

Featured on iTechGuides — Iktos 7.9/10

Iktos is listed in our AI Drug Discovery Software directory. Add the badge to your site — it links back to this page.

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Reviewed by iTechGuides Editors · Editorial team · Updated Oct 2026

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