High-Throughput Experimentation

Digitally Integrated High-Throughput Experimentation

Digitally integrated HTE connecting design, automation, and analytics for faster, confident process decisions.

HTE at CatSci
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At CatSci, High-Throughput Experimentation (HTE) is not just about running reactions faster, it’s about designing the right experiments for confident progression toward scale.

We frame each challenge around your commercial goals, safety, cost, risk, and manufacturability, ensuring experimental work supports robust, scalable chemistry suitable for development.

Through our integrated digital platform, CHETAH, we connect design, execution, and analytics within a single unified workflow.

CHETAH connects:

  • Intelligent experimental design (Screening, DoE, Bayesian optimisation, AI-guided approaches)
  • Robotic execution under controlled inert conditions
  • Automated analytical sequencing and processing
  • Structured data architecture compatible with client data lakes
  • Visual AI tools and computer vision for enhanced reaction insight

The result is a model-informed optimisation environment where every experiment delivers data-ready data.

Where HTE Delivers Impact
Route Scouting
Rapid comparison of synthetic strategies using structured, data-rich screening to enable objective route selection.
Catalysis & Ligand Optimisation
Parallel screening of ligands, metals and conditions to identify efficient, scalable catalytic systems with reduced loading and improved robustness.
Process Development & Robustness
Design-space mapping to define parameter sensitivity, impurity risk and scalable operating windows.
Metal Control & Impurity Strategy
Predictive PMI modelling helps us evaluate environmental impact before lab work begins, flagging waste-heavy or hazardous steps and driving greener, more efficient route design.
HTE delivers the most impact when applied strategically, enabling quick critical decisions and reducing development risk from route selection through to process control
HTE Capabilities
Integrated Robotic Execution
Automation at CatSci is orchestrated, not fragmented. Advanced solid and liquid handling, inert glovebox environments, and pressure reactors are connected through CHETAH to create a unified workflow from design to execution. This integration reduces manual intervention and ensures experimental integrity across large reaction matrices.
Seamless Analytical Integration
Fast decisions require rapid data. Analytical sequences are generated directly from experimental designs, incorporating calibration and suitability controls where required. Combined with rapid UPLC methods and automated data processing, results move seamlessly from reaction to insight. This closed-loop integration accelerates optimisation without compromising analytical rigour.
Digitally Enabled Process Insight
Integrated visualisation tools enable clear interpretation of screening, DoE, and optimisation campaigns, supporting aligned, data-driven decisions. Through our partnership with Reach Industries, Lumi visual AI tools further enhance understanding of reaction and crystallisation behaviour.
Transition to Scale
Our structured optimisation approach identifies scalable operating conditions early, reducing late-stage risk and strengthening confidence as programmes progress from gram to kilogram scale. By embedding scalability from the outset, HTE becomes a true development accelerator.

Case Study: Suzuki Optimisation

Using CHETAH-enabled High-Throughput Experimentation, we systematically screened catalyst, ligands, solvents, and temperatures across an expanded chemical space, generating structured, decision-ready data in days rather than weeks.

Key Outcomes

  • 60% overall cost savings
  • 100-fold reduction in catalyst and ligand loading
  • Ligand swapped to a 3× lower-cost alternative
  • 124 experiments completed in 12 hours of chemist time
  • Process transferred for kilogram-scale manufacture

What You Can Achieve

Optimal conditions
Rapid identification of optimal reaction conditions
Cost efficiency
Reduced catalyst loading and raw material cost 
Route acceleration
Faster route selection using minimal material
Operational robustness
Early identification of robust operating windows 
Integrated insight
Integrated datasets to support internal technical and commercial decision-making

Frequently Asked Questions

When is HTE most valuable during development?

HTE is particularly powerful during all phases of development including route scouting, catalytic optimisation and early process development, where structured condition mapping can rapidly reduce uncertainty and accelerate decision-making. 

How do HTE results translate to larger scale?

Experimental design incorporates scalability considerations, including catalyst loading, solvent choice and robustness mapping. Conditions are verified beyond plate scale to ensure practical translation. 

Can HTE support metal removal and impurity control strategies?

Yes. Screening of crystallisation, solution-phase and solid-phase metal removal approaches can be integrated into HTE workflows, supported by internal ICP-MS analysis.

Book a Consultation

Speak directly with our scientists about your development challenges and explore how we can support your programme.