Katalyst D2D®
Streamline High Throughput Experimentation, Process Development, and Materials Studies
Accelerate lead optimization, pharmaceutical development, and materials studies with digitalized workflows from Design to Decide.
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Automated, Digitalized Experimentation
Katalyst D2D® (Design to Decide) provides integrated experiment design, planning, execution, and analysis for high throughput synthesis, HT purification, process optimization, and preformulation studies.
Execute experiments more efficiently and connect data with decisions across the design-make-test-analyze (DMTA) cycle. Whether you’re optimizing reaction conditions, scaling synthetic routes, purifying samples, or screening solid forms, use Katalyst to:
Manage data across your entire workflow
Support visualization and interpretation of analytical results
Use structured data for decisive decision-making and AI/ML
Streamline Experiments from Design to Decide
High Throughput Experimentation
- Design, execute, and analyze HT synthesis and purification workflows in a single interface.
- Identify optimal reaction/purification conditions with connected data, automatically assembled in one place.
- Leverage HT data to accelerate future projects.
Process Chemistry
- Design, execute, and analyze process optimization and scale-up synthesis in one software.
- One interface for lab-scale process optimization and pilot-scale workflows.
- Review automatically assembled real-time and sampling data to identify optimal process scale-up conditions.
Material Studies
- Design, execute, and analyze diverse material studies in one interface.
- Auto-assemble critical process parameters (CPPs) and material attributes—solubility, stability, thermal properties, etc., for efficient decision-making.
- Ensure CMC data traceability for regulatory readiness with connected, contextual data.
Benefits
Accelerate Experimental Workflows
Automate Workflows in One Interface
- Katalyst is purpose-built to support your workflow—whether it is HT synthesis or purification, reaction scale-up, or solid-state characterization.
- Integrate with your networked hardware, laboratory execution systems, lab automation equipment, analytical instruments, and informatics systems.
Ensure Data Integrity
- Reduce the risk of error propagation from data transcription between systems.
- Eliminate manual transcription between the multiple software applications you currently use to design, plan, execute, and analyze experiments.
- Assure compliance with FAIR and ALCOA+ principles.
AI/ML-Enabled Reaction Design
- Use integrable third-party AI models to guide design of experiments (DoE) across a wide range of CMC studies including synthetic route optimization, process scale-up, work-up, and crystallization.
Decide Faster with Assembled Results
- Automatically assemble all your data from entire studies in one application.
- Reprocess batch analytical data or a selection of datasets in the same interface, no matter the instrument.
Flexible Data Analysis
Visualize experimental results within the Katalyst interface or, because your data is not locked into our environment, export for analysis into your preferred software application.
Leverage Structured Data for AI/ML
Pipeline the volumes of structured data you generate and manage with Katalyst, to ML (machine learning) and AI (artificial intelligence) models.
The Best Choice for Your Whole Team
Increased Efficiency
- Reduce time spent assembling, managing, and sharing data
- Execute experiments quicker with automatic procedure and instrument sampling/worklists
- Plan HT experiments faster with built-in templates and pre-dispensed plates (kits)
Seamless Sharing
- Find and review data for your experiment efficiently with automatic data transfer from all the systems in your workflow, into the Katalyst interface
- Access data from other experiments of interest, in the same interface. Break free of the instrument lab or office computer to manage your data.
Structured Data
- Katalyst delivers normalized, structured data that can be readily exported for use in data science applications
Contextualized Data
- Connection of data throughout scientific workflows ensures context for meaningful insights and re-usable knowledge
Streamlined Deployment & Maintenance
- Browser-based software means simpler roll-out, implementation of updates, and maintenance
- Deploy on-premises or on the cloud (hosted in your environment)
- Admin tools help you manage the application environment remotely, review problems, and provide resolution steps
Peace of Mind with Supported Integrations
Katalyst is designed to integrate with instrument hardware, software, and many applications typically used by lab teams. Our professional services and support teams help ensure these integrations continue to operate as intended.
Seamless Integration with Signals One
Spend less time re-entering information and more time iterating experiments
- Create your experiment in Signals One
- Import the experiment into Katalyst D2D
- Push your experiment back to Signals One for
auto-population of sub-experiments, material amounts and yield values
Katalyst D2D FAQs
Katalyst D2D is a scientific software application that digitalizes the design–make–test–analyze (DMTA) cycle. It integrates with software and hardware so researchers can design experiments, execute in connected third party automated platforms, test with analytical chemistry techniques, and analyze results. Katalyst provides data flow between steps so information can be managed in a single system, improving efficiency and data continuity across R&D workflows.
Katalyst D2D supports the following types of automated and/or array-based experiments:
Chemical synthesis
- High-throughput (HT)/plate-based/array-based/parallel synthesis
- Reaction screening
- Reaction optimization for process development
- Scale-up synthesis (lab-scale and pilot-scale)
- High-throughput purification and fraction management
Materials or formulation studies
- Solubility and solubility enhancement
- Excipient compatibility
- Physical form
- Stability studies
- Physicochemical characterization
- Particle size analysis
It automates experiment setup, generates structured execution instructions (for machine-input and scientist use), and assembles results automatically. Katalyst eliminates manual data handling between workflow steps minimizing transcription errors, and consolidates results with the experiment for context. It allows scientists to focus on interpreting results and making next-step decisions.
Katalyst D2D connects experimental design, laboratory execution, analytical data, and results analysis within a single workflow. Scientists can define experimental parameters, generate and manage experiments, coordinate execution through connected laboratory automation, and automatically bring analytical results back into the experimental context. This creates a continuous workflow from design through analysis, supporting high-throughput experimentation, optimization, and faster decision-making.
Yes. Katalyst D2D supports DoE workflows as part of a broader experimental workflow. Scientists can define experimental factors and ranges, generate experimental designs, execute experiments, and analyze the resulting data within a connected environment. This allows DoE to be integrated with laboratory automation and analytical data, rather than requiring separate systems for experimental design, execution, and analysis.
Katalyst D2D produces structured, contextualized datasets that are suitable for machine learning workflows. By standardizing experimental data and metadata, it enables more effective model development, integration with AI tools, and reproducible analysis.
ELNs and LIMS serve as systems of record—ELNs for documenting experiments and LIMS for managing samples, tests, and results with a focus on traceability and compliance. While Katalyst D2D is sometimes described as an ELN for HT or process chemistry, it goes beyond traditional ELN capabilities. It is designed to support end-to-end workflows, enabling scientists to design, execute, and analyze experiments in a connected environment. Katalyst complements these systems by structuring experimental data for faster iteration, optimization, and decision-making.
Katalyst D2D integrates with electronic lab notebooks, analytical instruments, lab automation platforms, AI/ML models and software, in-house databases and systems (chemical inventory, registration systems, etc.), enterprise data systems, and more. It enables seamless data flow across experimental workflows and reduces the need for manual data transfer between systems.
Katalyst D2D supports both client-hosted cloud (e.g. AWS) and on-premises deployment and is designed to scale across teams and sites. It enables collaboration and standardized workflows across organizations with varying IT and data governance requirements.
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