{
  "openapi": "3.0.0",
  "servers": [
    {
      "url": "https://SERVER_URI/api"
    }
  ],
  "info": {
    "description": "REST API webservice for lazar. \n\n*lazar* (lazy structure–activity relationships) is a modular framework for\npredictive toxicology.",
    "version": "1.4.0",
    "title": "Lazar REST Service",
    "contact": {
      "name": "in silico toxicology gmbh",
      "email": "info@in-silico.ch",
      "url": "https://in-silico.ch"
    },
    "license": {
      "name": "GNU GENERAL PUBLIC LICENSE",
      "url": "https://github.com/opentox/lazar-rest/blob/master/LICENSE"
    }
  },
  "externalDocs": {
    "description": "See also documentation\n",
    "url": "https://github.com/OpenRiskNet/home/blob/master/openshift/deployments/lazar/README.md"
  },
  "paths": {
    "/api.json": {
      "get": {
        "tags": [
          "api"
        ],
        "description": "Get swagger api in JSON",
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    },
    "/compound/descriptor": {
      "get": {
        "tags": [
          "compound",
          "descriptor"
        ],
        "description": "Get a list of all descriptors",
        "parameters": [
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      },
      "post": {
        "tags": [
          "compound",
          "descriptor"
        ],
        "summary": "Descriptor calculation",
        "description": "Calculate descriptors for a single compound as SMILES string",
        "parameters": [
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "202": {
            "$ref": "#/components/responses/202"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        },
        "requestBody": {
          "description": "identifier and descriptor/s",
          "required": true,
          "content": {
            "application/x-www-form-urlencoded": {
              "schema": {
                "$ref": "#/components/schemas/postdescriptor"
              }
            }
          }
        }
      }
    },
    "/compound/descriptor/{descriptor}": {
      "get": {
        "tags": [
          "compound",
          "descriptor"
        ],
        "description": "Get informations about a single descriptor",
        "parameters": [
          {
            "name": "descriptor",
            "in": "path",
            "description": "descriptor name or ID",
            "required": true,
            "schema": {
              "type": "string"
            }
          },
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    },
    "/compound/{InChI}": {
      "get": {
        "tags": [
          "compound"
        ],
        "description": "Get compound representation",
        "parameters": [
          {
            "$ref": "#/components/parameters/InChI"
          },
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "description": "OK",
            "content": {
              "application/json": {
                "schema": {
                  "type": "string",
                  "example": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"
                }
              },
              "chemical/x-daylight-smiles": {
                "schema": {
                  "type": "string",
                  "example": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"
                }
              },
              "chemical/x-inchi": {
                "schema": {
                  "type": "string",
                  "example": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"
                }
              },
              "chemical/x-mdl-sdfile": {
                "schema": {
                  "type": "string",
                  "example": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"
                }
              },
              "image/png": {
                "schema": {
                  "type": "string",
                  "example": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"
                }
              },
              "image/svg+xml": {
                "schema": {
                  "type": "string",
                  "example": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"
                }
              },
              "text/plain": {
                "schema": {
                  "type": "string",
                  "example": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"
                }
              }
            }
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    },
    "/dataset": {
      "get": {
        "tags": [
          "dataset"
        ],
        "description": "Get a list of all datasets",
        "parameters": [
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    },
    "/dataset/{id}": {
      "get": {
        "tags": [
          "dataset"
        ],
        "description": "Get dataset representation",
        "parameters": [
          {
            "$ref": "#/components/parameters/id"
          },
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "description": "OK",
            "content": {
              "text/csv": {
              },
              "application/csv": {
              }
            }
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "403": {
            "$ref": "#/components/responses/403"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    },
    "/dataset/{id}/{attribute}": {
      "get": {
        "tags": [
          "dataset"
        ],
        "description": "Get dataset representation",
        "parameters": [
          {
            "name": "attribute",
            "in": "path",
            "description": "requested attribute",
            "required": true,
            "schema": {
              "type": "string",
              "enum": [
                "compounds",
                "substances",
                "features"
              ]
            }
          },
          {
            "$ref": "#/components/parameters/id"
          },
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "403": {
            "$ref": "#/components/responses/403"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    },
    "/endpoint": {
      "get": {
        "tags": [
          "endpoint"
        ],
        "description": "Get a list of all available endpoints",
        "parameters": [
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    },
    "/endpoint/{endpoint}": {
      "get": {
        "tags": [
          "endpoint"
        ],
        "description": "Get a list of all available models for an endpoint",
        "parameters": [
          {
            "$ref": "#/components/parameters/endpoint"
          },
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    },
    "/feature": {
      "get": {
        "tags": [
          "feature"
        ],
        "description": "Get a list of ids for all features",
        "parameters": [
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    },
    "/feature/{id}": {
      "get": {
        "tags": [
          "feature"
        ],
        "description": "Get feature representation",
        "parameters": [
          {
            "$ref": "#/components/parameters/id"
          },
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "403": {
            "$ref": "#/components/responses/403"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    },
    "/model": {
      "get": {
        "tags": [
          "model"
        ],
        "description": "Get a list of all prediction models",
        "parameters": [
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    },
    "/model/{id}": {
      "get": {
        "tags": [
          "model"
        ],
        "description": "Get model representation",
        "parameters": [
          {
            "$ref": "#/components/parameters/id"
          },
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "403": {
            "$ref": "#/components/responses/403"
          },
          "404": {
            "$ref": "#/components/responses/404"
          }
        }
      },
      "post": {
        "tags": [
          "model"
        ],
        "description": "Predict a compound.",
        "parameters": [
          {
            "$ref": "#/components/parameters/id"
          },
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "202": {
            "$ref": "#/components/responses/202"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "403": {
            "$ref": "#/components/responses/403"
          },
          "404": {
            "$ref": "#/components/responses/404"
          }
        },
        "requestBody": {
          "description": "SMILES identifier.\n",
          "required": true,
          "content": {
            "application/x-www-form-urlencoded": {
              "schema": {
                "$ref": "#/components/schemas/postmodel"
              }
            }
          }
        }
      }
    },
    "/report": {
      "get": {
        "tags": [
          "report"
        ],
        "description": "Get a list of QMRF reports",
        "parameters": [
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    },
    "/report/{id}": {
      "get": {
        "tags": [
          "report"
        ],
        "description": "Get QMRF for prediction model",
        "parameters": [
          {
            "$ref": "#/components/parameters/id"
          },
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "description": "OK",
            "content": {
              "application/xml": {
                "schema": {
                  "type": "object"
                }
              }
            }
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "403": {
            "$ref": "#/components/responses/403"
          },
          "404": {
            "$ref": "#/components/responses/404"
          }
        }
      }
    },
    "/substance": {
      "get": {
        "tags": [
          "substance"
        ],
        "description": "Get a list of all substances",
        "parameters": [
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    },
    "/substance/{id}": {
      "get": {
        "tags": [
          "substance"
        ],
        "description": "Get substance representation by ID",
        "parameters": [
          {
            "$ref": "#/components/parameters/id"
          },
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "403": {
            "$ref": "#/components/responses/403"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    },
    "/validation": {
      "get": {
        "tags": [
          "validation"
        ],
        "description": "Get a list of all validation types",
        "parameters": [
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    },
    "/validation/{validationtype}": {
      "get": {
        "tags": [
          "validation"
        ],
        "description": "Get all validations of a validation type",
        "parameters": [
          {
            "$ref": "#/components/parameters/valtype"
          },
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "403": {
            "$ref": "#/components/responses/403"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    },
    "/validation/{validationtype}/{id}": {
      "get": {
        "tags": [
          "validation"
        ],
        "description": "Get validation representation",
        "parameters": [
          {
            "$ref": "#/components/parameters/valtype"
          },
          {
            "$ref": "#/components/parameters/id"
          },
          {
            "$ref": "#/components/parameters/subjectid"
          }
        ],
        "responses": {
          "200": {
            "$ref": "#/components/responses/200"
          },
          "400": {
            "$ref": "#/components/responses/400"
          },
          "401": {
            "$ref": "#/components/responses/401"
          },
          "403": {
            "$ref": "#/components/responses/403"
          },
          "404": {
            "$ref": "#/components/responses/404"
          },
          "500": {
            "$ref": "#/components/responses/500"
          }
        }
      }
    }
  },
  "tags": [
    {
      "name": "api",
      "description": "Swagger API representation in JSON"
    },
    {
      "name": "compound",
      "description": "Compound"
    },
    {
      "name": "dataset",
      "description": "Dataset"
    },
    {
      "name": "descriptor",
      "description": "Descriptor"
    },
    {
      "name": "endpoint",
      "description": "Endpoint"
    },
    {
      "name": "feature",
      "description": "Feature"
    },
    {
      "name": "model",
      "description": "Lazar Model Service"
    },
    {
      "name": "report",
      "description": "QMRF Reporting"
    },
    {
      "name": "substance",
      "description": "Substance"
    },
    {
      "name": "validation",
      "description": "Validation"
    }
  ],
  "components": {
    "schemas": {
      "postmodel": {
        "type": "object",
        "properties": {
          "identifier": {
            "type": "string",
            "example": "O=C1NC(=O)NC=C1"
          }
        }
      },
      "postdescriptor": {
        "type": "object",
        "properties": {
          "identifier": {
            "type": "string",
            "example": "O=C1NC(=O)NC=C1"
          },
          "descriptor": {
            "type": "string",
            "example": "Openbabel.MW,Openbabel.atoms"
          }
        }
      }
    },
    "parameters": {
      "id": {
        "name": "id",
        "in": "path",
        "description": "id",
        "required": true,
        "schema": {
          "type": "string"
        }
      },
      "endpoint": {
        "name": "endpoint",
        "in": "path",
        "description": "type",
        "required": true,
        "schema": {
          "type": "string"
        }
      },
      "InChI": {
        "name": "InChI",
        "in": "path",
        "description": "InChI String",
        "required": true,
        "schema": {
          "type": "string"
        }
      },
      "valtype": {
        "name": "validationtype",
        "in": "path",
        "description": "validation type",
        "required": true,
        "schema": {
          "type": "string",
          "enum": [
            "crossvalidation",
            "leaveoneout",
            "repeatedcrossvalidation",
            "regressioncrossvalidation"
          ]
        }
      },
      "subjectid": {
        "in": "header",
        "name": "subjectid",
        "description": "authorization token",
        "required": false,
        "schema": {
          "type": "string"
        }
      }
    },
    "responses": {
      "200": {
        "description": "OK",
        "content": {
          "application/json": {
            "schema": {
              "type": "object"
            }
          }
        }
      },
      "201": {
        "description": "Created",
        "content": {
          "application/json": {
            "schema": {
              "type": "object"
            }
          }
        }
      },
      "202": {
        "description": "Accepted",
        "content": {
          "application/json": {
            "schema": {
              "type": "object"
            }
          },
          "text/plain": {
            "schema": {
              "type": "object"
            }
          }
        }
      },
      "400": {
        "description": "Bad Request"
      },
      "401": {
        "description": "Unauthorized"
      },
      "403": {
        "description": "Forbidden"
      },
      "404": {
        "description": "Resource Not Found"
      },
      "500": {
        "description": "Server Error"
      }
    }
  }
}