ReactWise

What ReactWise does

ReactWise offers a powerful software solution to optimize chemical reactions. Its easy-to-use interface allows users to employ machine learning-based modeling to efficiently predict and identify the most promising reaction conditions. ReactWise helps analyze and optimize reactions, saving time and resources in the lab, allowing researchers to focus on their work. The platform provides data-driven optimization for chemical process development, offering smarter suggestions, fewer wasted runs, and faster results. It unlocks molecular insights by turning experimental data into molecular-level understanding with chemical descriptors and builds confidence in scale-up with automated kinetic modeling and mechanism discovery. ReactWise is built on proprietary datasets and descriptor databases, uniquely integrating chemical intelligence into every prediction.

Products

• ReactWise Optimization PlatformA platform that uses Bayesian Optimization (BO) and Multi-Task Bayesian Optimization (MTBO) to accelerate chemical reaction optimization. It learns from every experiment to suggest the next best steps, quantifies uncertainty in predictions, and balances exploration with exploitation. It also leverages historical data through MemoryBO to provide informed starting points for new reactions.
• MemoryBOReactWise’s multi-task Bayesian Optimization algorithm that can learn from previous data. It allows users to upload prior data of similar/related experiments, map it to their target task, and receive intelligent predictions from the start, enabling warm-start optimization.
• VeraAn in-app AI assistant powered by large language models that speeds up workflows. It can summarize results, suggest next steps, help propose parameter spaces, and facilitate more efficient data interaction. Vera is fully optional and can be disabled.

Key capabilities

• Machine learning-based modeling for reaction optimization
• Bayesian Optimization (BO) for smart decision-making
• Multi-Task Bayesian Optimization (MTBO) for transfer learning and accelerated optimization
• MemoryBO for leveraging historic data and warm-start optimization
• Automated kinetic modeling and mechanism discovery
• Proprietary datasets and descriptor databases for chemical intelligence
• Hardware-software integration for real-time, closed-loop optimization
• AI copilot for chemical process optimization
• LLM-powered features (Vera) for workflow acceleration
• Integration with ELN (Electronic Lab Notebook) for data transfer
• SOC 2 Type 2 certified
• ISO/IEC 27001:2022 certified
• Penetration tested
• Enterprise-grade AI security with Amazon Bedrock
• Data encrypted in transit and at rest
• Hosted on AWS with least-privilege access
• Audit logs and daily backups

Use cases

• Optimizing chemical reactions to find the highest yield
• Accelerating process development by over 50%
• Achieving high yield and low impurity in multi-objective hydrogenation processes
• Uncovering critical parameters in chemical processes
• Streamlining process development with ML-driven optimization
• Integrating with HTE design for efficient experimentation
• Narrowing down viable bio-based formulation compositions
• Accelerating biocatalytic process development
• Optimizing new pharmaceutical intermediates more efficiently
• Seamless data exchange between experimental work and data-driven optimization
• Continuous telescopic synthesis and optimization in reactors
• Summarizing results and suggesting next steps with AI assistant
• Proposing parameter spaces with AI assistant
• Working with data more efficiently

AI approach

ReactWise offers a powerful software solution to optimize chemical reactions using machine learning-based modeling. Their core offering is a proprietary Bayesian optimization engine, built on statistics and mathematics (Gaussian processes with bespoke acquisition functions), which does not use large language models and runs in an isolated AWS environment. They also offer optional LLM-powered features, such as an in-app AI assistant named Vera, which can summarize results, suggest next steps, and help propose parameter spaces. These LLM features are powered by AI models on Amazon Bedrock and are fully optional, with data never being retained or used to train AI models.

Tech named: machine learning, Bayesian Optimization (BO), Gaussian Process, Multi-Task Bayesian Optimization (MTBO), MemoryBO, Transfer Learning, Large Language Models (LLM), Amazon Bedrock

Industries served

• Pharma
• Biotech
• Materials
• Cosmetics
• Agro-chemicals
• Flavors & Fragances
• Fine Chemicals

What it says sets it apart

• Proven algorithms validated in industrial case studies
• Hardware-software integration for real-time, closed-loop optimization
• Grounded in real chemistry with proprietary datasets and descriptor databases
• MemoryBO for leveraging historical data and transfer learning
• Focus on fewer wasted experiments and faster convergence on optimal conditions
• Quantifies uncertainty in predictions with confidence ranges
• Independently audited and certified for security (SOC 2 Type 2, ISO/IEC 27001:2022)
• LLM features are optional and data is not used for training models
• Traffic between ReactWise and Bedrock flows over AWS PrivateLink
• No cross-customer sharing of data

Funding rounds we track

From the AI funding tracker — rounds as reported by the linked publications.