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From knowledge to conceptual process design.

Turn internal experimental data, papers, and patents into usable knowledge. Select promising synthesis routes from diverse candidates, check reaction feasibility, and develop a process concept covering steps and reaction conditions.

Knowledge & database creation AI

Convert internal experimental data, papers, patents, and other sources into organized knowledge that can be put to use.

  • Organize internal experimental data, papers, and patents
  • Link compounds, reactions, conditions, and sources
  • Search, share, and reuse knowledge
AI assistant screen for reviewing experimental and document information
AI assistant screen for reviewing experimental and document information

Synthesis route exploration AI

Multiple route exploration AIs generate diverse candidates, and consensus AI selects promising synthesis routes.

  • Generate diverse candidates with multiple AIs
  • Select promising routes with consensus AI
  • Compare candidate routes, starting materials, and reaction references
Screen comparing synthesis route candidates
Screen comparing synthesis route candidates

Reaction prediction & validation AI

Check reaction feasibility in advance using data and quantum chemistry calculations.

  • Review experimental data and reaction references
  • Use reaction and calculation records from TSDB/QMRDB
  • Validate feasibility with quantum chemistry calculations
TSDB screen for reviewing reactions and calculation results
TSDB screen for reviewing reactions and calculation results

Conceptual process design AI

Develop a conceptual process design, including steps and reaction conditions, based on the synthesis route.

  • Organize process steps based on the synthesis route
  • Investigate reaction conditions
  • Develop process concepts to inform R&D decisions
Related Kinerator screen used to investigate reaction conditions
Related Kinerator screen used to investigate reaction conditions

Connect knowledge and validation to inform R&D decisions.

  1. AI that organizes knowledge and builds databases

    Convert internal experimental data, papers, patents, and other sources into organized knowledge that can be put to use.

  2. AI that finds synthesis routes

    Multiple route exploration AIs generate diverse candidates, and consensus AI selects promising synthesis routes.

  3. AI that checks reactions

    Check reaction feasibility in advance using data and quantum chemistry calculations.

  4. AI that develops process concepts

    Develop a conceptual process design, including steps and reaction conditions, based on the synthesis route.

Capabilities that support platform operations

Access control

Fine-grained access control by department, team, and user, with SSO integration.

Organization billing

Visualize departmental usage and support flexible billing and cost allocation.

API integration

Connect external systems and internal tools through APIs.

Job management

Monitor calculation jobs, rerun them, and set execution priorities.

Cloud / VPC support

Operate in AWS environments and connect through a VPC for secure use.

Use chemistry AI for your next R&D task.

Tell us about the work you want to address: knowledge creation, route exploration, reaction validation, or conceptual process design. We will review your task and data requirements and discuss implementation.

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