ReactWise: Data-driven optimization for chemical process development

Focus on the most promising experiments

Get smarter suggestions, fewer wasted runs and 10x faster results.

User interface of a Buchwald-Hartwig Coupling experiment dashboard showing experimental data table, highlighted best experiment #13 with 92% yield, and control panel for planning experiments.

SHAP summary plot showing the impact of features like temperature and solvent properties (nD, ET, δp, δd, AN, β) on a Diels-Alder reaction model, with points colored from blue to red indicating low to high feature values.

Unlock molecular insights

Turn experimental data into molecular-level understanding for faster optimization with chemical descriptors.

Scale-up readiness

Build confidence in scale-up with automated kinetic modeling and mechanism discovery.

Model 1.2 showing NO2 decomposition rate equations, coefficients, constants, and concentration vs time graphs for A (NO2), B (NO), and C (O2) at temperatures 100°C, 110°C, 120°C, and 130°C.

What our users say

ReactWise accelerated our process development by over 50%, transforming the way we conduct reaction optimization.

ReactWise significantly sped up our adoption of Bayesian Optimization and Machine Learning at Pharmaron.

ReactWise enabled us to reach 97.5% yield and 1% impurity during a challenging multi-objective hydrogenation process, while uncovering a critical parameter related to the temperature profile.

Why choose ReactWise?

Proven algorithms

Validated in industrial case studies, our robust optimization algorithms consistently deliver measurable performance gains.

Hardware-software integration

Connection with laboratory instruments for real-time, closed-loop optimization.

Grounded in real chemistry

Built on proprietary datasets and descriptor databases, ReactWise uniquely integrates chemical intelligence into every prediction.

Find the best chemical reaction conditions

This game shows how to optimize reaction conditions to find the highest yield by adjusting Temperature, Catalyst, and Catalyst loading. Our software uses machine learning to guide you to the peak.

Yield & Impurity Calculator

Temperature 50 °C

Catalyst Loading 1 mol%

Catalyst

Yield 50

Impurity 50

You can zoom in and out and drag to rotate the the graph

Smarter experiments, fewer runs, faster results

Gain real-time insights, automate experiments, and simplify the workflows of your laboratory.

Book a demo

Still optimizing reactions by trial and error?

Discover how we bridge the gap from plate to plant. Our brochure explores ML-driven optimization, hardware integration, the use of HTE design, and automated kinetic modeling to streamline your process development.

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AI copilot for chemical process optimization