Bayesian Optimization Platform

Fewer experiments.
Better chemistry.

ScaleChem uses Gaussian Process regression and Expected Improvement acquisition to guide your reaction optimization — cutting campaign cycles by 40–60% compared to one-factor-at-a-time approaches.

Start free trial → See how it works

▲ EI: +34.1% · recommend

GP σ converging · 12 obs

Running Best — Yield GP Matérn 5/2

Best observed

91.4%

GP predicted max

96.2%

Runs saved

~14

How it works

From design space to
optimal conditions

Four steps. No data science degree required.

01 ——

📐

Define your campaign

Set your variables (temperature, solvent, catalyst loading) and objectives (yield, purity). ScaleChem builds the full candidate space.

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02 ——

🧬

Run initial experiments

Conduct a small set of initial experiments (3–8 runs). Enter your results directly into the platform.

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03 ——

🤖

Optimizer recommends next

The Gaussian Process model fits your data and uses Expected Improvement to recommend the highest-value experiments to run next.

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04 ——

📈

Converge to optimum

Iterate until convergence. Export your full campaign as a QA-ready PDF report with all charts, GP predictions, and experiment log.

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Platform features

Everything a process chemist
actually needs

Built by chemists. No black boxes, no PhD required to interpret results.

🎯

Bayesian Optimization

Gaussian Process regression with Matérn 5/2 kernel and Expected Improvement acquisition. The same method used by leading pharma R&D teams.

⚖️

Multi-Objective Campaigns

Optimize yield AND purity AND selectivity simultaneously. Full EI distribution per objective to understand trade-offs.

📊

Analytics Dashboard

Variable importance, GP uncertainty, convergence tracking, EI heatmaps, and response surface landscapes — all updated in real time.

📄

QA-Ready Reports

One-click PDF export with cover page, campaign summary, all charts, and full experiment log. Ready for your QA team or project file.

💾

CSV Export

Download your complete campaign data — all conditions, all observations, all GP predictions — as a CSV file at any time.

🔒

Data Isolation

Each team's campaign data is fully isolated. Your reaction conditions and results never leave your account.

Pricing

Simple, transparent pricing

Start with a free trial. No credit card required.

Pilot

$800/mo

For single teams evaluating Bayesian optimization.

1 active campaign
Up to 3 objectives
500 candidate experiments
PDF + CSV export
Email support

Start free trial

Ready to run smarter
optimization campaigns?

Join process chemistry teams using Bayesian optimization to find optimal conditions faster. Free 14-day trial, no credit card required.

Create free account → Talk to us first

Fewer experiments. Better chemistry.

From design space tooptimal conditions

Everything a process chemistactually needs

Simple, transparent pricing

Ready to run smarteroptimization campaigns?

Fewer experiments.
Better chemistry.

From design space to
optimal conditions

Everything a process chemist
actually needs

Ready to run smarter
optimization campaigns?