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Making Molecules.
Discovering Chemistry.

Access Novel Molecules On-Demand

Order previously inaccessible, diverse compounds with rapid turnaround.

Empower Your In-House Chemistry

License Maria™, our platform, to design better synthesis plans and conditions internally.

Working with:

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and 4 major pharma companies

The Problem

Small molecule synthesis is slowing your discovery process.

  • CRO costs are spiraling out of control.
  • Compounds from on-demand spaces offer limited diversity.
  • In-house synthesis simply isn't a scalable solution.

There has to be a better way.

The Solution

Maria™

a high-throughput robotic synthesis platform orchestrated by our frontier AI

We mapped chemical reactivity with over 300,000 microliter experiments, capturing reaction patterns that go far beyond human intuition.

The result is a superhuman AI that achieves remarkably high synthesis success rates using an incredibly diverse set of building blocks.

We are democratizing access to Maria's unique capabilities.

Partner with us in two key ways:

1Access Novel Molecules On-Demand

Order from our HTE-first SpaceM1

Get diverse, novel molecules at the <1 mg or 1–10 mg scale. Compounds are delivered purified or ready for direct-to-biology screening.

  • Download SpaceM1
  • Request a Quote
  • Leverage our End-to-End Discovery Service

    Have a well-defined target and assay? We can deliver compounds with confirmed biological activity, managing the process from design to validation.

  • Learn More
  • 2 Empower Your In-House Chemistry

    License Maria's AI

    Integrate the world's best AI for retrosynthesis planning and condition recommendation models directly into your workflow to help your teams make better and faster synthesis decisions.

    M1 RetroScore powered by CAS

  • Free trial
  • Download Product Sheet
  • Solve Your Toughest Synthesis Challenges

    We can develop custom AI models, trained on bespoke HTE data, to discover novel reaction conditions and overcome your most persistent chemistry roadblocks.

  • Learn More
  • Testimonials

    Molecule.one chemistry already surpasses what we have been able to get from [redacted]. The diversity of your building blocks and chemistry is way better.

    Top TechBio

    Molecule.one has pushed the boundaries of retrosynthesis prediction, making it more precise, accessible, and, most importantly, scalable. […] We are always evaluating ways to leverage technology to advance the industries we operate in. Molecule.one's technology does exactly that—creating faster, more efficient ways to produce fine chemicals, which will ultimately accelerate the development and production of pharmaceuticals

    Brenda Kelly, President of Materials Technologies, W. R. Grace & Co.

    Papers

    Blog

    The Team

    Want to create the future of chemistry?

    We're always looking for talented, passionate folks interested in developing the future of science today.

    Advisors

    • Abby Doyle

      Abby Doyle

      Pioneer in HTE for Organic Chemistry, Professor at UCLA

    • Sebastian Guth

      Sebastian Guth

      COO, Bayer Pharmaceuticals

    • Mason Victors

      Mason Victors

      Former CTO of Recursion Pharmaceuticals

    Meet us there

    Press Highlights

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