naftiko: 1.0.0-alpha2
info:
  label: Sigma-Aldrich Chemical Research
  description: Unified workflow capability for chemical and life science research workflows using the Sigma-Aldrich product
    catalog API. Enables researchers, LIMS systems, and EHS platforms to search the world's largest chemical catalog, perform
    structure-based lookups, retrieve safety data sheets for regulatory compliance, and check product pricing and availability.
    Designed for research chemists, computational chemists, EHS managers, and procurement teams working with life science
    materials.
  tags:
  - Life Science
  - Chemistry
  - Research
  - Cheminformatics
  - Safety
  - LIMS
  - Procurement
  created: '2026-05-02'
  modified: '2026-05-06'
binds:
- namespace: env
  keys:
    SIGMA_ALDRICH_API_KEY: SIGMA_ALDRICH_API_KEY
capability:
  consumes:
  - type: http
    namespace: sigma-aldrich
    baseUri: https://api.sigmaaldrich.com/v1
    description: Sigma-Aldrich Product Search and Safety Data Sheet REST API
    authentication:
      type: apikey
      key: x-api-key
      value: '{{SIGMA_ALDRICH_API_KEY}}'
      placement: header
    resources:
    - name: product-search
      path: /products/search
      description: Product catalog keyword search
      operations:
      - name: search-products
        method: GET
        description: Search Sigma-Aldrich product catalog
        inputParameters:
        - name: q
          in: query
          type: string
          required: true
          description: Search query
        - name: page
          in: query
          type: integer
          required: false
          description: Page number
        - name: pageSize
          in: query
          type: integer
          required: false
          description: Results per page
        - name: brand
          in: query
          type: string
          required: false
          description: Brand filter
        outputRawFormat: json
        outputParameters:
        - name: result
          type: object
          value: $.
    - name: product-by-catalog
      path: /products/{catalogNumber}
      description: Product lookup by catalog number
      operations:
      - name: get-product
        method: GET
        description: Get product details by catalog number
        inputParameters:
        - name: catalogNumber
          in: path
          type: string
          required: true
          description: Sigma-Aldrich catalog number
        outputRawFormat: json
        outputParameters:
        - name: result
          type: object
          value: $.
    - name: product-by-cas
      path: /products/cas/{casNumber}
      description: Product lookup by CAS number
      operations:
      - name: get-product-by-cas
        method: GET
        description: Get products by CAS Registry Number
        inputParameters:
        - name: casNumber
          in: path
          type: string
          required: true
          description: CAS Registry Number
        outputRawFormat: json
        outputParameters:
        - name: result
          type: object
          value: $.
    - name: structure-search
      path: /structures/search
      description: Chemical structure search
      operations:
      - name: search-by-structure
        method: POST
        description: Search by chemical structure (SMILES/InChI)
        outputRawFormat: json
        outputParameters:
        - name: result
          type: object
          value: $.
        body:
          type: json
          data:
            structure: '{{tools.structure}}'
            searchType: '{{tools.searchType}}'
            notation: '{{tools.notation}}'
    - name: product-sds
      path: /products/{catalogNumber}/sds
      description: Safety Data Sheet retrieval
      operations:
      - name: get-product-sds
        method: GET
        description: Get GHS Safety Data Sheet for a product
        inputParameters:
        - name: catalogNumber
          in: path
          type: string
          required: true
          description: Catalog number
        - name: language
          in: query
          type: string
          required: false
          description: Language code
        outputRawFormat: json
        outputParameters:
        - name: result
          type: object
          value: $.
    - name: product-pricing
      path: /products/{catalogNumber}/pricing
      description: Product pricing and availability
      operations:
      - name: get-product-pricing
        method: GET
        description: Get pricing and stock availability
        inputParameters:
        - name: catalogNumber
          in: path
          type: string
          required: true
          description: Catalog number
        - name: country
          in: query
          type: string
          required: false
          description: Country code
        outputRawFormat: json
        outputParameters:
        - name: result
          type: object
          value: $.
  exposes:
  - type: rest
    port: 8080
    namespace: sigma-aldrich-research-api
    description: Unified REST API for Sigma-Aldrich chemical research and procurement workflows.
    resources:
    - path: /v1/products/search
      name: product-search
      description: Product catalog search
      operations:
      - method: GET
        name: search-products
        description: Search Sigma-Aldrich product catalog by keyword, name, or formula
        call: sigma-aldrich.search-products
        with:
          q: rest.q
          page: rest.page
          pageSize: rest.pageSize
          brand: rest.brand
        outputParameters:
        - type: object
          mapping: $.
    - path: /v1/products/{catalogNumber}
      name: product
      description: Product lookup by catalog number
      operations:
      - method: GET
        name: get-product
        description: Get product details by Sigma-Aldrich catalog number
        call: sigma-aldrich.get-product
        with:
          catalogNumber: rest.catalogNumber
        outputParameters:
        - type: object
          mapping: $.
    - path: /v1/products/cas/{casNumber}
      name: product-by-cas
      description: Product lookup by CAS number
      operations:
      - method: GET
        name: get-product-by-cas
        description: Find products by CAS Registry Number
        call: sigma-aldrich.get-product-by-cas
        with:
          casNumber: rest.casNumber
        outputParameters:
        - type: object
          mapping: $.
    - path: /v1/structures/search
      name: structure-search
      description: Chemical structure search
      operations:
      - method: POST
        name: search-by-structure
        description: Search by chemical structure using SMILES or InChI
        call: sigma-aldrich.search-by-structure
        with:
          structure: rest.structure
          searchType: rest.searchType
          notation: rest.notation
        outputParameters:
        - type: object
          mapping: $.
    - path: /v1/products/{catalogNumber}/sds
      name: safety-data-sheet
      description: Safety Data Sheet retrieval
      operations:
      - method: GET
        name: get-sds
        description: Get GHS Safety Data Sheet for a product
        call: sigma-aldrich.get-product-sds
        with:
          catalogNumber: rest.catalogNumber
          language: rest.language
        outputParameters:
        - type: object
          mapping: $.
    - path: /v1/products/{catalogNumber}/pricing
      name: pricing
      description: Product pricing and availability
      operations:
      - method: GET
        name: get-pricing
        description: Get product pricing and stock availability
        call: sigma-aldrich.get-product-pricing
        with:
          catalogNumber: rest.catalogNumber
          country: rest.country
        outputParameters:
        - type: object
          mapping: $.
  - type: mcp
    port: 9090
    namespace: sigma-aldrich-research-mcp
    transport: http
    description: MCP server for AI-assisted chemical research and life science procurement using Sigma-Aldrich.
    tools:
    - name: search-chemicals
      description: Search the Sigma-Aldrich catalog for chemicals, reagents, and biochemicals by name, formula, or keyword
      hints:
        readOnly: true
        openWorld: true
      call: sigma-aldrich.search-products
      with:
        q: tools.q
        page: tools.page
        pageSize: tools.pageSize
        brand: tools.brand
      outputParameters:
      - type: object
        mapping: $.
    - name: get-product-details
      description: Get detailed information about a Sigma-Aldrich product by catalog number
      hints:
        readOnly: true
        openWorld: false
      call: sigma-aldrich.get-product
      with:
        catalogNumber: tools.catalogNumber
      outputParameters:
      - type: object
        mapping: $.
    - name: lookup-by-cas-number
      description: Find Sigma-Aldrich products by CAS Registry Number (e.g., 7732-18-5 for water)
      hints:
        readOnly: true
        openWorld: false
      call: sigma-aldrich.get-product-by-cas
      with:
        casNumber: tools.casNumber
      outputParameters:
      - type: object
        mapping: $.
    - name: search-by-chemical-structure
      description: Search for chemicals by structure using SMILES or InChI notation with exact, substructure, or similarity
        matching
      hints:
        readOnly: true
        openWorld: true
      call: sigma-aldrich.search-by-structure
      with:
        structure: tools.structure
        searchType: tools.searchType
        notation: tools.notation
      outputParameters:
      - type: object
        mapping: $.
    - name: get-safety-data-sheet
      description: Retrieve the GHS Safety Data Sheet for a Sigma-Aldrich chemical product for regulatory compliance
      hints:
        readOnly: true
        openWorld: false
      call: sigma-aldrich.get-product-sds
      with:
        catalogNumber: tools.catalogNumber
        language: tools.language
      outputParameters:
      - type: object
        mapping: $.
    - name: get-product-pricing
      description: Get current pricing and stock availability for a Sigma-Aldrich product by country
      hints:
        readOnly: true
        openWorld: false
      call: sigma-aldrich.get-product-pricing
      with:
        catalogNumber: tools.catalogNumber
        country: tools.country
      outputParameters:
      - type: object
        mapping: $.