Solution / Chemical R&D

Plan smarter experiments. Reduce scale-up risk.

STOCHOS learns from the runs your team has already logged, then proposes the next experiment to run toward a yield, quality, or cost target.

The bottleneck

Too many variables, too few runs you can afford

Large parameter spaces

Reagents, concentrations, temperature, pressure and time interact.

Expensive runs

Every experiment, batch and pilot costs time, material and equipment.

Scale-up risk

Lab results do not always transfer cleanly to pilot and production.

Experiment planning

Choose the next run that teaches the most

Loop diagram: an initial design of experiments feeds a probabilistic model, the model suggests the point of maximum information gain, that sample is run, and the new data returns to the model.
A classical test matrix is set once, before the first run. STOCHOS updates it after every result, so each measurement changes which experiment is worth running next.
Swipe the diagram to see the full loop.
How Bayesian optimization works →
Process optimization

Yield, quality, and cost together

In chemical process optimization, higher yield can raise cost or push quality out of spec: multi-objective Bayesian optimization shows the trade-off, and sensitivity analysis ranks which parameters drive each outcome.

How sensitivity analysis works →
Illustrative sensitivity ranking · Sobol indices

An illustrative sensitivity ranking, not customer data. The gap between solid and dashed bars comes from interactions between parameters.

Scale-up

Connect lab, pilot, and production data

Multi-fidelity modeling ties lab, pilot, and plant data together, so a reliable plant-scale prediction takes fewer full-scale batches.

How multi-fidelity modeling works → Guide: lab-to-production scale-up →
Where it fits

The work this actually gets used for

Ten problems in chemical R&D and production that share one shape: few runs, each expensive, several targets pulling against each other.

Three round-bottom flasks receding into the dark, the nearest one lit from within
01Bayesian optimization

Reaction yield and selectivity

Yield, selectivity and cost pull against each other, so STOCHOS proposes the conditions worth booking next from the runs you already have.

How Bayesian optimization works →
A line of flasks of increasing size fading into haze along a workbench
02Multi-fidelity

Scale-up, lab to pilot to plant

Each scale costs an order of magnitude more than the one below, so the cheap runs are used to inform the expensive ones.

Guide: lab to production scale-up →
A glass stirred bioreactor with a steel headplate and a feed line entering the top
04Constrained search

Bioprocess media and feed optimization

Few runs, each costing days of cultivation, so every prediction carries an interval you can judge before booking the next one.

Guide: run fewer experiments →
Catalyst pellets spilled across a pool of light with a single capped vial standing among them
05Sensitivity

Catalyst screening and reaction windows

The factor list is long and most of it does not matter, so sensitivity ranking decides where the campaign is spent.

How sensitivity analysis works →
Five graduated cylinders side by side, each filled to a different level
06Mixture constraints

Formulation and mixture optimization

Fractions have to sum to a fixed total and some groups have to be zero, so those rules enter the search as constraints.

Guide: variants that respect constraints →
A glass pipette lowering a single drop onto a coin cell
07Small data

Battery electrolyte formulation

Four or five components and cells that take days to cycle, the few-expensive-runs regime this engine is built for.

How uncertainty is quantified →
An industrial gate valve on lagged pipework with vapour rising from the joint
08Response surface

Process parameter optimization

Temperature, residence time and mixing decide the outcome, so a few deliberate trials map the response surface. Parameter work, not plant control.

How surrogate models work →
An inline glass flow cell set into a steel pipe run, sensor cable entering at the far side
09Inference

Soft sensors for slow measurements

The number you need is slow or destructive to measure, so a model predicts it from the ones you already log.

Guide: when to trust a prediction →
A worn metal component, pitted and corroded through in places, on a dark bench
10Time to limit

Predictive maintenance

Fouling and wear are read from few inspections, so the trend is predicted with an interval that widens the further out it runs.

Guide: know when a model is guessing →
Interactive demo

Try to beat STOCHOS on a process problem

You get a few tries to tune temperature, catalyst loading, residence time and solvent for the highest yield, keeping selectivity in spec and cost down. Then STOCHOS takes the same reaction, on the same score, and you see both answers side by side.

About 2 minutes · illustrative demo, synthetic data, response surfaces fitted offline from DIM-GP models

The chemistry challenge screen: process and formulation sliders, a reactor view, and the measured result panel
01 Set·02 Run·03 Lock·04 Compare
Get started

Bring one process or experiment plan

Send us one process target, its variables, and the runs you have logged. We will sketch how STOCHOS would plan the next campaign and where a pilot could begin.

STOCHOS runs on your own infrastructure; process data stays local.

Common questions

01How does AI reduce the number of experiments?

STOCHOS learns from your existing experiments, estimates outcomes for conditions you have not run yet, with confidence bounds, and proposes the next run that teaches it the most. Each result updates the model, so the search adapts toward the target with fewer experiments than a fixed plan.

02Can STOCHOS connect lab, pilot, and production data?

Yes. Multi-fidelity modeling combines data of different cost and accuracy in one model. Broad lab data covers the space and sparse production data anchors accuracy, which reduces the number of expensive large-scale runs needed to predict behavior at scale. That is the typical chemical scale-up pattern, where plant batches are the scarcest data.

03Does STOCHOS run on-premise?

Yes. Core modeling and optimization run on your own infrastructure by default, and STOCHOS Flow can drive a local language model through Ollama, so a run does not depend on external services. Optional cloud models are available if you choose them. In a local setup, sensitive process data and recipes stay on your systems.

04Can STOCHOS use our historical experiment data?

Yes. Existing results seed the model: STOCHOS trains on your past experiments first, then the adaptive loop continues from there, so earlier work counts toward the target. It handles small datasets and mixed lab, pilot, and plant records. How many further runs you need depends on your system and targets, so there is no fixed sample count.

Partners, customers, and research collaborators
AnsysCADFEMSimuTech GroupMEScoTSNEBoschZFGEMUDLRAdler LackeMankiewiczDuluxPlixxentFraunhoferHochschule NiederrheinFUELL Lab AutomationHumotionUniversitaet HamburgRobert Bosch Stiftung