Blaise AI Beta: Entity-Linked AI for Medicinal Chemistry

By Blaise AI Team

Blaise AI is live in beta.

Not “chat, but with a molecule pasted in.” A workspace where the AI’s reasoning is attached to the objects chemists actually argue about: structures, series, assay tables, and the edits that connect one design decision to the next.

The real problem: chemistry work isn’t text

A medicinal chemistry program is a graph:

  • Molecules (and their analogues)
  • Assays (often messy, multi-source, inconsistent)
  • Series hypotheses (“this substitution fixes lipophilicity but kills permeability”)
  • Decisions (“drop the series”, “make these 3”, “add a solubilising tail”, “try a bioisostere”)

Generic chat treats all of that as a blob of tokens. The output might sound plausible, but it’s not anchored to the project reality.

Blaise is built around a different constraint:

Every claim the AI makes must point to the molecule(s) and the data it is using.

That’s what “entity-linked” means.

Entity-linked AI: the unit of reasoning is a molecular object

In Blaise, a message isn’t just text. It’s a set of references:

  • a specific compound or congeneric series
  • a specific assay readout (with provenance)
  • a specific transformation (e.g., an MMP-style change)
  • a specific hypothesis tagged to the series

The payoff is obvious the moment you try to do real work:

  • You can click from a sentence to the structure it refers to.
  • You can audit why the model said what it said.
  • You can reuse conclusions later because they’re not free-floating prose.

SAR & series exploration that behaves like a project meeting

Blaise’s early beta emphasis is series navigation and SAR interrogation:

  • Matched-pair analysis to surface transformations that actually moved the needle in your data.
  • Assay-table navigation without the usual “copy/paste + spreadsheet archaeology”.
  • A copilot that stays inside the series context instead of hallucinating global medicinal chemistry folklore.

A small-molecule-centric UI (not a chat box with RDKit sprinkled on)

The UI treats molecules as first-class objects:

  • structures are selectable entities
  • series are navigable units
  • properties are attached to objects and provenance

This is chemistry-native interaction.

Who this beta is for

If you:

  • live inside series decisions,
  • spend time reconciling assay values across sources,
  • want AI that is auditable and grounded,

…then the beta is already useful.

Try it

The beta is open with a free trial for early sign-ups.

Principle: the goal isn’t pretty text. It’s faster, more correct decisions about molecules — with a traceable chain of evidence.