ChemCopilot AI Lab Agent

Cut DOE time by 100x.
Simulate experiments in seconds.

Upload your experimental data and let the AI Lab Agent learn the relationship between your variables. Chat with your results, visualize them in 3D, and get predictions for scenarios you haven't run yet — before you return to the lab bench.

Try the AI Lab Agent

No credit card required · 14-day free trial

How the ChemCopilot AI Lab Agent works A four-step flow: your data with input and output variables, the AI Lab Agent learning from it, chatting and analyzing results in 3D, then the AI predicting new scenarios with new inputs and outputs. = Your data Input variables (x1, x2...) → output variables (y1, y2...) Chemcopilot AI Lab Agent learns Builds a predictive model from your experimental data Chat & analyze in 3D Explore results through natural conversation AI predicts new scenarios New inputs, new outputs — before you run them
Inside the AI Lab Agent

From raw data to validated predictions — without leaving the chat

Chat with your knowledge, train multiple models, explore your data in 3D, simulate new experiments, and feed real results back in.

Chat with your own knowledge

Upload datasets, research papers, or lab notebooks and have a real conversation with them. Ask questions, surface insights, and explore your own R&D knowledge the way you'd chat with a colleague.

It goes further: the Knowledge Assistant can turn what it learns into a ready-to-run Design of Experiments — a second way to generate a DOE, built straight from your own data.

reaction_data.csv lab_notes.pdf
What's driving the low yield in batches 12–15?
Those batches show lower yield when reaction temperature exceeds 85°C combined with catalyst loading below 2%. Conditions below that threshold look more promising.
Generate DOE from this

Compare every model

CatBoost, XGBoost, Random Forest, MLP, TabPFN, KNN and Extra Trees — trained and compared automatically on your dataset, so you pick the best engine for your chemistry.

CatBoost
Native categoricals
XGBoost
Gradient-boosted trees
Random Forest
Ensemble of trees
MLP Neural Net
Multi-layer network
TabPFN
Transformer, zero tuning
KNN
Similarity-based
Extra Trees
Randomised trees

Explore your data

Multiple 2D and 3D interactive graph types available to visualize your data and prediction results.

Drag to rotate · click a point to inspect Reset view
Low High
X · Component AY · OutputZ · Component B

Predict & sweep conditions

Get instant predictions for new inputs, run sensitivity studies by sweeping one or more parameters, or use state-of-the-art inverse optimization to find the input combinations that hit your target output — all with a few clicks, no coding required.

InputPredicted output
109.8226.57
54.9933.65
154.9233.04
82.3737.20
27.6533.65
Parameter sweep
Best: 56.4

Close the loop with real lab data

Run the suggested conditions in your lab, log the measured outcomes, and retrain the model instantly — export every result to CSV whenever you need it.

10 suggested conditions Random
109.82
0.07
200.06
Log experimental results
ExpInputMeasured
1109.8224.10
20.07enter value
3200.06enter value
Retrain model Export CSV

Get a Free Trial Period

Be the first. Stop guessing which trials to run. Predict outcomes with AI before moving to the physical bench and get a 14-day free trial.

See the ChemCopilot AI Lab Agent in action

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FAQ

Questions R&D teams actually ask

Everything you need to know before you upload your first dataset.

It's a workspace where R&D teams turn their own data, experiments, and research into a predictive model — then chat with it, visualize it in 3D, and use it to plan what to test next. No data science background required.
Your specs, articles, and past experiments are what fill and train the model — not random guessing. Once trained, the AI Lab Agent ranks which conditions are most likely to work, so you choose the most promising ones to test first instead of spending weeks running experiments at random in the lab. A Design of Experiments that traditionally needs 48 runs is often narrowed down to 5–8 high-confidence experiments.
Yes — you can upload papers, patents, or internal reports and the Knowledge Assistant will use them to inform predictions, and even help generate a Design of Experiments from them. You're responsible for making sure you have the rights to any article or document you upload — ChemCopilot doesn't claim ownership of your content, but please respect copyright and your organization's IP policies.
Yes — to train a model, the AI Lab Agent needs your input and output variables: the conditions you tested and the results you measured. You train the model yourself, on your own data, hosted securely on Amazon Web Services infrastructure. We never use your data to train models for other customers.
It's about quality, not quantity. You can start with formulation specs, measured outputs, research articles, old experiments, or even historical production variables — there's no minimum row count. The more relevant and accurate your inputs, the better the model's predictions.
ChemCopilot connects to common ELNs and lab data systems, and offers a REST API for custom workflows. Enterprise plans add ERP integration, so predictions and experiment data can flow directly into your existing systems.
Yes. The free trial gives you 14 days of full access — upload your own datasets, run in silico experiments, and test the AI Lab Agent. No credit card required. Pro and Enterprise plans unlock pLM tools, digital twin, ERP integration, and team features.

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