AI-designed drugs you can make.

Explore billions of synthesizable molecules and discover novel drug leads in hours, not years.

Our backers and partners

How SyntheMol works

  1. A spreadsheet of molecules, each with its structure as SMILES and the values you measured: active or inactive, or a number such as potency or solubility. Any assay that ties a property to structure works.

  2. SyntheMol learns which structures go with your values, then designs thousands of new molecules on our GPUs. Follow the run live, and we'll email you when it's done.

  3. Every design is built from Onepot's in-stock building blocks, so it can be made. Filter out problem structures, pick the ones you want and order them, with no synthesis to plan.

Close the tab and get on with your day. When a run finishes, or fails, we email you a link straight to it.

Every designed molecule comes with its scores and a full chemical profile. Narrow thousands of candidates down to the handful worth ordering.

  • Each model's prediction
  • Tanimoto similarity
  • Molecular weight
  • cLogP
  • Topological polar surface area
  • H-bond donors
  • Predicted solubility (logS)
  • Fraction sp3
  • Lipinski violations
  • PAINS
  • Michael acceptor
  • Aldehyde
  • Amide
  • Carboxylic acid
  • Sulfonamide
  • Nitrile
  • Piperazine
  • Morpholine
  • Thiazole
  • + more

Create a team and invite colleagues by email, even ones without an account yet. Datasets, models and runs are shared with the whole team, and anyone on it can follow a run as it happens.

  • Owners, admins and members
  • Switch between your own work and each team
  • Invitations by email
  • Stored in Canada

    Datasets, models and results are stored in Supabase's Canada (Central) region and run on our GPUs at McMaster University.

  • Private by default

    Row-level security on every table and file means only you, and the teams you choose to share with, can read your work.

  • Encrypted everywhere

    Data is encrypted at rest, and every connection uses TLS 1.2 or newer. Sign-in is a one-time code or Google, with no password to leak.

  • SOC 2 Type 2 infrastructure

    Your data lives on Supabase, which is independently audited against SOC 2 Type 2 every year.

  • Backed up daily

    The database is backed up every day, and the last seven days of backups are kept.

  • Yours to delete

    Delete a dataset, model or run and its files are removed from storage and from our GPU node.

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