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OpenAPI Specification

openapi: 3.2.0
info:
  title: ivive.app Correction Equations API
  description: 'Calculations for early drug discovery: IVIVE hepatic clearance with its observed-CL band,

    structure-based predictions, species scaling.


    **No key needed** for single-compound endpoints, up to 120/minute per address.

    Batches need a login; a free account takes up to 25 compounds. For a key or more volume, write to

    hello@ivive.app.


    Results are research estimates, not for clinical, regulatory or dosing decisions. Structures and

    inputs are processed in memory and not stored. The same calculations are available to LLMs as an

    MCP server at `/mcp/`.


    Reference drugs and published animal PK come from public datasets, ChEMBL among them, under

    CC BY-SA 3.0 and other open licences: https://ivive.app/sources.'
  version: 1.0.0
servers:
- url: https://api.ivive.app
  description: Production
- url: /
  description: This server
tags:
- name: correction-equations
paths:
  /api/correction-equations:
    get:
      tags:
      - correction-equations
      summary: List correction equations
      description: List all correction equations for the authenticated user, ordered by name.
      operationId: list_correction_equations_api_correction_equations_get
      responses:
        '200':
          description: Successful Response
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/CorrectionEquationListResponse'
      security:
      - OAuth2PasswordBearer: []
    post:
      tags:
      - correction-equations
      summary: Save a lab correction
      description: Fit as in /correction-equations/fit and save the result with its compounds.
      operationId: save_correction_equation_api_correction_equations_post
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/CorrectionSaveRequest'
        required: true
      responses:
        '201':
          description: Successful Response
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/CorrectionEquationResponse'
        '422':
          description: Validation Error
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/HTTPValidationError'
      security:
      - OAuth2PasswordBearer: []
  /api/correction-equations/{equation_id}:
    get:
      tags:
      - correction-equations
      summary: Get correction equation
      description: Get a single correction equation by ID.
      operationId: get_correction_equation_api_correction_equations__equation_id__get
      security:
      - OAuth2PasswordBearer: []
      parameters:
      - name: equation_id
        in: path
        required: true
        schema:
          type: string
          format: uuid
          title: Equation Id
      responses:
        '200':
          description: Successful Response
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/CorrectionEquationResponse'
        '422':
          description: Validation Error
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/HTTPValidationError'
    delete:
      tags:
      - correction-equations
      summary: Delete correction equation
      description: Delete a correction equation by ID. Returns 204 on success.
      operationId: delete_correction_equation_api_correction_equations__equation_id__delete
      security:
      - OAuth2PasswordBearer: []
      parameters:
      - name: equation_id
        in: path
        required: true
        schema:
          type: string
          format: uuid
          title: Equation Id
      responses:
        '204':
          description: Successful Response
        '422':
          description: Validation Error
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/HTTPValidationError'
  /api/correction-equations/fit:
    post:
      tags:
      - correction-equations
      summary: Preview a lab correction
      description: Runs IVIVE on each compound and fits log10(observed / predicted plasma CL) = offset + slope × log10(fu_p) for both IVIVE models. Does NOT save.
      operationId: preview_correction_fit_api_correction_equations_fit_post
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/CorrectionFitRequest'
        required: true
      responses:
        '200':
          description: Successful Response
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/CorrectionFitResponse'
        '422':
          description: Validation Error
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/HTTPValidationError'
      security:
      - OAuth2PasswordBearer: []
components:
  schemas:
    CorrectionEquationListResponse:
      properties:
        equations:
          items:
            $ref: '#/components/schemas/CorrectionEquationResponse'
          type: array
          title: Equations
        count:
          type: integer
          title: Count
      type: object
      required:
      - equations
      - count
      title: CorrectionEquationListResponse
    CorrectionFitRequest:
      properties:
        assay_type:
          type: string
          enum:
          - microsomes
          - hepatocytes
          title: Assay Type
        species:
          type: string
          enum:
          - human
          - rat
          - dog
          title: Species
          default: human
        source:
          anyOf:
          - type: string
          - type: 'null'
          title: Source
          description: Lab or dataset the compounds come from.
        compounds:
          items:
            $ref: '#/components/schemas/LabCompound'
          type: array
          maxItems: 1000
          minItems: 6
          title: Compounds
      type: object
      required:
      - assay_type
      - compounds
      title: CorrectionFitRequest
    CorrectionSaveRequest:
      properties:
        assay_type:
          type: string
          enum:
          - microsomes
          - hepatocytes
          title: Assay Type
        species:
          type: string
          enum:
          - human
          - rat
          - dog
          title: Species
          default: human
        source:
          anyOf:
          - type: string
          - type: 'null'
          title: Source
          description: Lab or dataset the compounds come from.
        compounds:
          items:
            $ref: '#/components/schemas/LabCompound'
          type: array
          maxItems: 1000
          minItems: 6
          title: Compounds
        name:
          type: string
          maxLength: 255
          minLength: 1
          title: Name
      type: object
      required:
      - assay_type
      - compounds
      - name
      title: CorrectionSaveRequest
    ValidationError:
      properties:
        loc:
          items:
            anyOf:
            - type: string
            - type: integer
          type: array
          title: Location
        msg:
          type: string
          title: Message
        type:
          type: string
          title: Error Type
      type: object
      required:
      - loc
      - msg
      - type
      title: ValidationError
    LabCompound:
      properties:
        name:
          type: string
          maxLength: 255
          title: Name
        clint:
          type: number
          exclusiveMinimum: 0.0
          title: Clint
          description: In-vitro CLint (µL/min/mg protein or µL/min/10⁶ cells).
        fu_mic:
          type: number
          maximum: 1.0
          exclusiveMinimum: 0.0
          title: Fu Mic
          description: Unbound fraction in the incubation.
        fu_p:
          type: number
          maximum: 1.0
          exclusiveMinimum: 0.0
          title: Fu P
          description: Unbound fraction in plasma.
        rb:
          type: number
          maximum: 50.0
          exclusiveMinimum: 0.0
          title: Rb
          description: Blood-to-plasma ratio.
          default: 1.0
        cl_obs:
          type: number
          exclusiveMinimum: 0.0
          title: Cl Obs
          description: Observed total plasma clearance, IV (mL/min/kg).
      type: object
      required:
      - name
      - clint
      - fu_mic
      - fu_p
      - cl_obs
      title: LabCompound
    ModelFit:
      properties:
        offset:
          type: number
          title: Offset
          description: log10 correction at fu_p = 1.
        fu_p_slope:
          type: number
          title: Fu P Slope
          description: log10 correction per log10 fu_p (0 when not fitted).
        band_low_log10:
          type: number
          title: Band Low Log10
          description: 25th percentile of leave-one-out log10(obs/corrected).
        band_high_log10:
          type: number
          title: Band High Log10
          description: 75th percentile of leave-one-out log10(obs/corrected).
        aafe_uncorrected:
          type: number
          title: Aafe Uncorrected
          description: Average absolute fold error before correction.
        aafe_corrected:
          type: number
          title: Aafe Corrected
          description: Average absolute fold error after correction, leave-one-out.
      type: object
      required:
      - offset
      - fu_p_slope
      - band_low_log10
      - band_high_log10
      - aafe_uncorrected
      - aafe_corrected
      title: ModelFit
    CorrectionFitResponse:
      properties:
        n_compounds:
          type: integer
          title: N Compounds
        fu_p_min:
          type: number
          title: Fu P Min
        fu_p_max:
          type: number
          title: Fu P Max
        fits:
          additionalProperties:
            $ref: '#/components/schemas/ModelFit'
          type: object
          title: Fits
          description: Keyed by IVIVE model.
      type: object
      required:
      - n_compounds
      - fu_p_min
      - fu_p_max
      - fits
      title: CorrectionFitResponse
    HTTPValidationError:
      properties:
        detail:
          items:
            $ref: '#/components/schemas/ValidationError'
          type: array
          title: Detail
      type: object
      title: HTTPValidationError
    CorrectionEquationResponse:
      properties:
        n_compounds:
          type: integer
          title: N Compounds
        fu_p_min:
          type: number
          title: Fu P Min
        fu_p_max:
          type: number
          title: Fu P Max
        fits:
          additionalProperties:
            $ref: '#/components/schemas/ModelFit'
          type: object
          title: Fits
          description: Keyed by IVIVE model.
        id:
          type: string
          title: Id
        name:
          type: string
          title: Name
        assay_type:
          type: string
          title: Assay Type
        species:
          type: string
          title: Species
        source:
          anyOf:
          - type: string
          - type: 'null'
          title: Source
        created_at:
          type: string
          format: date-time
          title: Created At
      type: object
      required:
      - n_compounds
      - fu_p_min
      - fu_p_max
      - fits
      - id
      - name
      - assay_type
      - species
      - source
      - created_at
      title: CorrectionEquationResponse
  securitySchemes:
    OAuth2PasswordBearer:
      type: oauth2
      flows:
        password:
          scopes: {}
          tokenUrl: /api/auth/login