Autonomous scientific agents · now in private beta

Discover breakthrough therapeutics 10× faster.

Katalyst is an AI-native drug discovery engine. Our autonomous agents surface overlooked assets, run a 50-model in-silico evaluation, and de-risk every candidate — so your team moves from hypothesis to conviction in days, not quarters.

Request access See how it works →
Trusted by scientists from
Broad Institute Genentech Recursion EMBL-EBI
0Custom scientific models
0Faster asset triage
0Compounds screened
0Reviewer agreement
The platform

An evaluation engine for the entire asset lifecycle

From first signal to final conviction, Katalyst fuses autonomous reasoning agents with rigorous, reproducible science.

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Asset discovery

Agents continuously scan literature, patents, trials, and proprietary datasets to surface assets the market has missed.

⬡

In-silico evaluation

50+ specialized models score binding, ADME, toxicity, and off-target risk into a single, defensible profile.

△

Probability of success

A calibrated PoS model translates molecular and market signals into a clear go / no-go recommendation.

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Human-in-the-loop

Every recommendation is reviewed by specialists and KOLs — AI proposes, experts decide.

How it works

A seven-stage autonomous pipeline

Each stage is a modular agent. Together they form a reproducible path from raw signal to validated conviction.

  1. 01

    Asset Discovery Agent

    Mines global literature, patents, and trial registries for high-potential, under-explored assets.

  2. 02

    Scientific Evaluation Stack

    50+ custom models assess each candidate across mechanism, pharmacology, and safety.

  3. 03

    Specialist Human Review

    Domain scientists audit the agent's reasoning and flag edge cases.

  4. 04

    Market Insight Agent

    Maps competitive landscape, IP runway, and commercial whitespace.

  5. 05

    Operational Risk Agent

    Surfaces manufacturing, regulatory, and supply-chain risk early.

  6. 06

    Probability of Success Model

    Synthesizes every signal into a calibrated, transparent PoS score.

  7. 07

    Final Review with KOLs

    Key opinion leaders validate the top assets before they reach your desk.

In-silico evaluation stack

Four pillars of computational rigor

Every asset is profiled across the dimensions that decide whether a molecule becomes a medicine.

Binding & Mechanistic Coherence

Structure-based affinity prediction, docking, and pathway consistency checks against the proposed mechanism of action.

ΔG · pose stability · MoA fit

ADME & Pharmacokinetics

Absorption, distribution, metabolism, and excretion modeling to forecast in-vivo behavior before the bench.

solubility · CYP · half-life

Toxicity & Safety Profiling

Multi-endpoint toxicity prediction including hepatotoxicity, cardiotoxicity, and genotoxic liabilities.

hERG · DILI · Ames

Off-Target & Immunogenicity Risk

Proteome-wide selectivity screening and immunogenicity flags to catch liabilities competitors miss.

selectivity · MHC binding
Why Katalyst

AI built for science, not demos

⬢

Modular agents

Each agent is independently auditable and swappable, so the system improves without becoming a black box.

⧗

Human-in-the-loop by design

Expert review is built into the pipeline, not bolted on — every conviction is traceable to evidence.

∿

Semi-supervised learning

Models learn from both labeled outcomes and the vast unlabeled chemistry of the real world.

FAQ

Questions, answered

Who is behind Katalyst?

A team of computational chemists, ML researchers, and former pharma operators building the discovery engine they always wished they had.

How do you source assets?

Our discovery agents continuously scan public literature, patents, and trial registries, combined with licensed proprietary datasets, to surface high-potential candidates.

Is this a replacement for my scientists?

No. Katalyst is a force multiplier. AI handles breadth and speed; your experts make the calls. Human review is a first-class stage in every pipeline.

What is the business model?

We partner with biotechs and pharma on a platform-access basis, with optional co-development on jointly sourced assets. Reach out for details.

How do I get access?

We're onboarding partners in a private beta. Request access below and our team will be in touch.

Bring conviction to your next decision.

Request access to the Katalyst private beta. Tell us about your therapeutic focus and we'll set up a tailored walkthrough.