{
"swagger": "2.0",
"info": {
"description": "REST API webservice for lazar and nano-lazar. \n*lazar* (lazy structure–activity relationships) is a modular framework for predictive toxicology. With activated Authentication & Authorization, subjectid authorization token are obligatory for designated services.\n",
"version": "1.0.0",
"title": "Lazar & Nano-Lazar REST Service",
"contact": {
"name": "in silico toxicology gmbh",
"email": "service@in-silico.ch",
"url": "www.in-silico.ch"
},
"license": {
"name": "GNU GENERAL PUBLIC LICENSE",
"url": "https://github.com/opentox/lazar-rest/blob/master/LICENSE"
}
},
"host": "enm.in-silico.ch",
"basePath": "/",
"schemes": [
"https"
],
"paths": {
"/model": {
"get": {
"tags": [
"model"
],
"description": "Get a list of all prediction models",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"text/uri-list",
"application/json"
]
},
{
"$ref": "#/parameters/subjectid"
}
],
"produces": [
"text/uri-list",
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"404": {
"$ref": "#/responses/404"
},
"500": {
"$ref": "#/responses/500"
}
}
}
},
"/model/{id}": {
"get": {
"tags": [
"model"
],
"description": "Get model representation",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"application/json"
]
},
{
"$ref": "#/parameters/id"
},
{
"$ref": "#/parameters/subjectid"
}
],
"produces": [
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"403": {
"$ref": "#/responses/403"
},
"404": {
"$ref": "#/responses/404"
}
}
},
"post": {
"tags": [
"model"
],
"description": "Predict a compound",
"parameters": [
{
"name": "identifier",
"in": "formData",
"description": "SMILES identifier or comma seperated list of SMILES identifiers",
"required": true,
"type": "string"
},
{
"$ref": "#/parameters/id"
},
{
"$ref": "#/parameters/subjectid"
}
],
"produces": [
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"403": {
"$ref": "#/responses/403"
},
"404": {
"$ref": "#/responses/404"
}
}
}
},
"/model/{id}/nanoparticle": {
"post": {
"tags": [
"model"
],
"description": "Predict a nanoparticle",
"parameters": [
{
"name": "core",
"in": "formData",
"description": "core",
"required": true,
"type": "string"
},
{
"name": "coating",
"in": "formData",
"description": "coating",
"required": true,
"type": "string"
},
{
"name": "physchem",
"in": "formData",
"description": "physchem descriptors. key-value hash of physchem descriptors.",
"required": true,
"type": "string"
},
{
"$ref": "#/parameters/id"
},
{
"$ref": "#/parameters/subjectid"
}
],
"produces": [
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"403": {
"$ref": "#/responses/403"
},
"404": {
"$ref": "#/responses/404"
}
}
}
},
"/report": {
"get": {
"tags": [
"report"
],
"description": "Get a list of QMRF reports",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"text/uri-list",
"application/json"
]
},
{
"$ref": "#/parameters/subjectid"
}
],
"produces": [
"text/uri-list",
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"404": {
"$ref": "#/responses/404"
},
"500": {
"$ref": "#/responses/500"
}
}
}
},
"/report/{id}": {
"get": {
"tags": [
"report"
],
"description": "Get a QMRF report prototype",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"application/xml"
]
},
{
"$ref": "#/parameters/id"
},
{
"$ref": "#/parameters/subjectid"
}
],
"produces": [
"application/xml"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"403": {
"$ref": "#/responses/403"
},
"404": {
"$ref": "#/responses/404"
}
}
}
},
"/dataset": {
"get": {
"tags": [
"dataset"
],
"description": "Get a list of all datasets",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"text/uri-list",
"application/json"
]
},
{
"$ref": "#/parameters/subjectid"
}
],
"produces": [
"text/uri-list",
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"404": {
"$ref": "#/responses/404"
},
"500": {
"$ref": "#/responses/500"
}
}
}
},
"/dataset/{id}": {
"get": {
"tags": [
"dataset"
],
"description": "Get dataset representation",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"application/json",
"text/csv"
]
},
{
"$ref": "#/parameters/id"
},
{
"$ref": "#/parameters/subjectid"
}
],
"produces": [
"application/json",
"text/csv"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"403": {
"$ref": "#/responses/403"
},
"404": {
"$ref": "#/responses/404"
}
}
}
},
"/dataset/{id}/{attribute}": {
"get": {
"tags": [
"dataset"
],
"description": "Get dataset representation",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"application/json"
]
},
{
"name": "attribute",
"in": "path",
"description": "requested attribute",
"required": true,
"type": "string",
"enum": [
"compounds",
"nanoparticles",
"substances",
"features"
]
},
{
"$ref": "#/parameters/id"
},
{
"$ref": "#/parameters/subjectid"
}
],
"produces": [
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"403": {
"$ref": "#/responses/403"
},
"404": {
"$ref": "#/responses/404"
}
}
}
},
"/substance": {
"get": {
"tags": [
"substance"
],
"description": "Get a list of all substances",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"text/uri-list",
"application/json"
]
},
{
"$ref": "#/parameters/subjectid"
}
],
"produces": [
"text/uri-list",
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"404": {
"$ref": "#/responses/404"
},
"500": {
"$ref": "#/responses/500"
}
}
}
},
"/substance/{id}": {
"get": {
"tags": [
"substance"
],
"description": "Get substance representation",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"application/json"
]
},
{
"$ref": "#/parameters/id"
},
{
"$ref": "#/parameters/subjectid"
}
],
"produces": [
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"403": {
"$ref": "#/responses/403"
},
"404": {
"$ref": "#/responses/404"
}
}
}
},
"/nanoparticle": {
"get": {
"tags": [
"nanoparticle"
],
"description": "Get a list of all nanoparticles",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"text/uri-list",
"application/json"
]
},
{
"$ref": "#/parameters/subjectid"
}
],
"produces": [
"text/uri-list",
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"404": {
"$ref": "#/responses/404"
},
"500": {
"$ref": "#/responses/500"
}
}
}
},
"/nanoparticle/{id}": {
"get": {
"tags": [
"nanoparticle"
],
"description": "Get nanoparticle representation",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"application/json"
]
},
{
"$ref": "#/parameters/id"
},
{
"$ref": "#/parameters/subjectid"
}
],
"produces": [
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"403": {
"$ref": "#/responses/403"
},
"404": {
"$ref": "#/responses/404"
}
}
}
},
"/feature": {
"get": {
"tags": [
"feature"
],
"description": "Get a list of all features",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"text/uri-list",
"application/json"
]
}
],
"produces": [
"text/uri-list",
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"404": {
"$ref": "#/responses/404"
},
"500": {
"$ref": "#/responses/500"
}
}
}
},
"/feature/{id}": {
"get": {
"tags": [
"feature"
],
"description": "Get feature representation",
"parameters": [
{
"name": "acept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"application/json"
]
},
{
"$ref": "#/parameters/id"
}
],
"produces": [
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"403": {
"$ref": "#/responses/403"
},
"404": {
"$ref": "#/responses/404"
}
}
}
},
"/validation": {
"get": {
"tags": [
"validation"
],
"description": "Get a list of all validation types",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"text/uri-list",
"application/json"
]
}
],
"produces": [
"text/uri-list",
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"404": {
"$ref": "#/responses/404"
},
"500": {
"$ref": "#/responses/500"
}
}
}
},
"/validation/{validationtype}": {
"get": {
"tags": [
"validation"
],
"description": "Get all validations of a validation type",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"text/uri-list",
"application/json"
]
},
{
"$ref": "#/parameters/valtype"
},
{
"$ref": "#/parameters/subjectid"
}
],
"produces": [
"text/uri-list",
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"403": {
"$ref": "#/responses/403"
},
"404": {
"$ref": "#/responses/404"
}
}
}
},
"/validation/{validationtype}/{id}": {
"get": {
"tags": [
"validation"
],
"description": "Get validation representation",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"application/json"
]
},
{
"$ref": "#/parameters/valtype"
},
{
"$ref": "#/parameters/id"
},
{
"$ref": "#/parameters/subjectid"
}
],
"produces": [
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"403": {
"$ref": "#/responses/403"
},
"404": {
"$ref": "#/responses/404"
}
}
}
},
"/compound/descriptor": {
"get": {
"tags": [
"compound",
"descriptor"
],
"description": "Get a list of all descriptors",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"text/plain",
"application/json"
]
}
],
"produces": [
"text/plain",
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"404": {
"$ref": "#/responses/404"
},
"500": {
"$ref": "#/responses/500"
}
}
},
"post": {
"tags": [
"compound",
"descriptor"
],
"summary": "Descriptor calculation",
"description": "Calculate descriptors for a single compound as SMILES string
curl example: curl -Lk -X POST -i -H \"accept:application/json\" -F \"identifier=O=C1NC(=O)NC=C1\" -F \"descriptor=Openbabel.MW,JoeLib.LogP\" https://enm.in-silico.ch/compound/descriptor
.",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"text/csv",
"application/json"
],
"default": "text/csv"
},
{
"name": "identifier",
"in": "formData",
"description": "SMILES identifier",
"required": true,
"type": "string"
},
{
"name": "descriptor",
"in": "formData",
"description": "array of descriptors",
"required": true,
"type": "array",
"items": {
"type": "string"
}
},
{
"$ref": "#/parameters/subjectid"
}
],
"produces": [
"text/csv",
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"404": {
"$ref": "#/responses/404"
},
"500": {
"$ref": "#/responses/500"
}
}
}
},
"/compound/descriptor/{descriptor}": {
"get": {
"tags": [
"compound",
"descriptor"
],
"description": "Get a list of a descriptors",
"parameters": [
{
"name": "accept",
"in": "header",
"description": "requested Content-Type",
"required": true,
"type": "string",
"enum": [
"text/plain",
"application/json"
]
},
{
"name": "descriptor",
"in": "path",
"description": "descriptor name or ID",
"required": true,
"type": "string"
}
],
"produces": [
"text/plain",
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
},
"404": {
"$ref": "#/responses/404"
},
"500": {
"$ref": "#/responses/500"
}
}
}
},
"/compound/{InChI}": {
"get": {
"tags": [
"compound"
],
"description": "Get compound representation",
"parameters": [
{
"$ref": "#/parameters/InChI"
},
{
"name": "accept",
"in": "header",
"description": "requested Content-type",
"required": true,
"type": "string",
"enum": [
"application/json",
"chemical/x-daylight-smiles",
"chemical/x-inchi",
"chemical/x-mdl-sdfile",
"chemical/x-mdl-molfile",
"image/png",
"image/svg+xml",
"text/plain"
]
}
],
"produces": [
"application/json",
"chemical/x-daylight-smiles",
"chemical/x-inchi",
"chemical/x-mdl-sdfile",
"chemical/x-mdl-molfile",
"image/png",
"image/svg+xml",
"text/plain"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
}
}
}
},
"/api/api.json": {
"get": {
"tags": [
"api"
],
"description": "Get swagger api in JSON",
"produces": [
"application/json"
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"500": {
"$ref": "#/responses/500"
}
}
}
},
"/aa/authenticate": {
"post": {
"tags": [
"authentication"
],
"description": "Authentication against OpenSSO. Returns token. Requires Username and Password.",
"operationId": "login",
"consumes": [
"text/plain"
],
"produces": [
"text/plain"
],
"parameters": [
{
"in": "formData",
"name": "username",
"description": "username",
"required": true,
"type": "string"
},
{
"in": "formData",
"name": "password",
"description": "password",
"required": true,
"type": "string",
"format": "password"
}
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
}
}
}
},
"/aa/logout": {
"post": {
"description": "Devalidates a token. Requires Subjectid.",
"operationId": "logout",
"tags": [
"authentication"
],
"consumes": [
"text/plain"
],
"produces": [
"text/plain"
],
"parameters": [
{
"in": "formData",
"name": "subjectid",
"description": "subjectid",
"required": true,
"type": "string"
}
],
"responses": {
"200": {
"$ref": "#/responses/200"
},
"400": {
"$ref": "#/responses/400"
},
"401": {
"$ref": "#/responses/401"
}
}
}
}
},
"parameters": {
"id": {
"name": "id",
"in": "path",
"description": "id",
"required": true,
"type": "string"
},
"InChI": {
"name": "InChI",
"in": "path",
"description": "InChI String",
"required": true,
"type": "string"
},
"valtype": {
"name": "validationtype",
"in": "path",
"description": "validation type",
"required": true,
"type": "string"
},
"subjectid": {
"in": "header",
"name": "subjectid",
"description": "authorization token",
"required": false,
"type": "string"
}
},
"responses": {
"200": {
"description": "OK"
},
"400": {
"description": "Bad Request"
},
"401": {
"description": "Unauthorized"
},
"403": {
"description": "Forbidden"
},
"404": {
"description": "Resource Not Found"
},
"500": {
"description": "Server Error"
}
},
"tags": [
{
"name": "algorithm",
"description": "Algorithm"
},
{
"name": "api",
"description": "Swagger API representation in JSON"
},
{
"name": "authentication",
"description": "minimal Authentication service"
},
{
"name": "descriptor",
"description": "Descriptor"
},
{
"name": "model",
"description": "Lazar Model Service"
},
{
"name": "compound",
"description": "Compound"
},
{
"name": "dataset",
"description": "Dataset"
},
{
"name": "validation",
"description": "Validation"
},
{
"name": "substance",
"description": "Substance"
},
{
"name": "nanoparticle",
"description": "Nanoparticle"
},
{
"name": "feature",
"description": "Feature"
},
{
"name": "report",
"description": "QMRF Reporting"
}
]
}