ivive.app Scaling API

openapi: 3.2.0
info:
  title: ivive.app Scaling 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: scaling
paths:
  /api/scaling/allometric:
    post:
      tags:
      - scaling
      summary: Predict human clearance from animal clearance
      description: 'Scales observed animal in-vivo plasma clearance to human by every method the supplied data supports, each carrying the accuracy it showed on 369 drugs with observed human CL. Everything is plasma CL in mL/min/kg.


        Measured on that set, scaling from a single species beat simple allometry across two species, because extrapolating a two-point fit from 0.25 kg and 10 kg out to 70 kg amplifies the error in either point. Methods are returned most accurate first.'
      operationId: allometric_scaling_api_scaling_allometric_post
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/ScalingRequest'
        required: true
      responses:
        '200':
          description: Successful Response
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/ScalingResponse'
        '422':
          description: Validation Error
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/HTTPValidationError'
      security:
      - OAuth2PasswordBearer: []
components:
  schemas:
    ScalingResponse:
      properties:
        results:
          items:
            $ref: '#/components/schemas/MethodResult'
          type: array
          title: Results
          description: Methods that could be applied, most accurate first
        unavailable:
          additionalProperties:
            type: string
          type: object
          title: Unavailable
          description: Methods that need data not supplied, and what each is missing
      type: object
      required:
      - results
      title: ScalingResponse
    SpeciesPoint:
      properties:
        species:
          type: string
          title: Species
          description: One of ['dog', 'monkey', 'rat']
        cl:
          type: number
          maximum: 1000.0
          exclusiveMinimum: 0.0
          title: Cl
          description: Observed plasma CL, mL/min/kg
        fu_p:
          anyOf:
          - type: number
            maximum: 1.0
            exclusiveMinimum: 0.0
          - type: 'null'
          title: Fu P
          description: Unbound fraction in plasma for this species
      type: object
      required:
      - species
      - cl
      title: SpeciesPoint
      description: One animal's measured in-vivo plasma clearance, and optionally its binding.
    HTTPValidationError:
      properties:
        detail:
          items:
            $ref: '#/components/schemas/ValidationError'
          type: array
          title: Detail
      type: object
      title: HTTPValidationError
    MethodResult:
      properties:
        method:
          type: string
          title: Method
        cl_human:
          type: number
          title: Cl Human
          description: Predicted human plasma CL, mL/min/kg
        species_used:
          items:
            type: string
          type: array
          title: Species Used
        exponent:
          anyOf:
          - type: number
          - type: 'null'
          title: Exponent
        accuracy:
          anyOf:
          - $ref: '#/components/schemas/AccuracySchema'
          - type: 'null'
        source:
          type: string
          title: Source
        note:
          anyOf:
          - type: string
          - type: 'null'
          title: Note
      type: object
      required:
      - method
      - cl_human
      - species_used
      - source
      title: MethodResult
    AccuracySchema:
      properties:
        aafe:
          type: number
          title: Aafe
          description: Geometric mean fold error; 1.0 would be perfect
        within_2x:
          type: number
          title: Within 2X
          description: Percent of drugs predicted within 2-fold
        n:
          type: integer
          title: N
        basis:
          type: string
          title: Basis
      type: object
      required:
      - aafe
      - within_2x
      - n
      - basis
      title: AccuracySchema
      description: What this method scored on the calibration drugs, so a user can weigh its answer.
    ScalingRequest:
      properties:
        animals:
          items:
            $ref: '#/components/schemas/SpeciesPoint'
          type: array
          minItems: 1
          title: Animals
          description: 'One entry per species, e.g. [{"species": "rat", "cl": 40}, {"species": "dog", "cl": 12}].'
        fu_p_human:
          anyOf:
          - type: number
            maximum: 1.0
            exclusiveMinimum: 0.0
          - type: 'null'
          title: Fu P Human
          description: Human unbound fraction, needed by the fu-corrected methods
      type: object
      required:
      - animals
      title: ScalingRequest
    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
  securitySchemes:
    OAuth2PasswordBearer:
      type: oauth2
      flows:
        password:
          scopes: {}
          tokenUrl: /api/auth/login