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Rapidly design reliable synthesis pathways

The best AI for synthesis planning. Faster than ever technology. Simple yet powerful user interface.

Molecule One

Need to design synthesis for 1 molecule?
Or screen 100.000 molecules?
We’ve got you covered.

Molecule One Builder


  • Screen up to 5.000 molecules/h in terms of synthetic accessibility
  • Analyze an unlimited number of molecules
  • Quickly access route parameters such as number of steps, route confidence, price of starting materials
Molecule One Analyst


  • View full synthetic pathways for known and novel molecules
  • Access supporting information such as: conditions of similar reactions, compound prices from eMolecules & Mcule
  • Browse diverse suggestions using a convenient web interface
Molecule One Architect

All-in-one (recommended)

  • Every feature from screening and design plans
  • Dedicated computational instance
  • Priority support

Need more or something special?
Contact us at [email protected] or

Request a call

Our approach combines best-in-class,
interpretable AI with excellent user experience

How to start work with us

Contact us!

Contact us by sending email to [email protected] or use form below

June 2018 Analyst

Public beta launch

Q3 2019 Architect

Full product launch

Q1 2020


Amazon Web Services eMolecules nVidia Pistoia Alliance Mcule

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Contact Molecule One

Contact us

Contact us today to find out more about what we do and how we do it. Prototype testing available on request.