Exact chemical structure search

v1.0.0

Returns compounds found

Input

{
  "type": "object",
  "properties": {
    "b64search": {
      "type": "string"
    },
    "bundle_uri": {
      "type": "string"
    },
    "casesens": {
      "type": "boolean"
    },
    "db": {
      "type": "string",
      "enum": [
        "calibrate",
        "enanomapper",
        "enpra",
        "marina",
        "nanogenotox",
        "nanoinformatix",
        "nanoreg1",
        "nanoreg2",
        "nanotest"
      ]
    },
    "page": {
      "type": "integer"
    },
    "pagesize": {
      "type": "integer"
    },
    "representation": {
      "type": "string",
      "enum": [
        "all",
        "smiles",
        "reach",
        "stdinchi",
        "stdinchikey",
        "names",
        "iupac_name",
        "synonym",
        "cas",
        "einecs"
      ]
    },
    "sameas": {
      "type": "string"
    },
    "search": {
      "type": "string"
    },
    "term": {
      "type": "string",
      "enum": [
        "search",
        "url",
        "inchikey"
      ]
    }
  },
  "required": [
    "db",
    "representation",
    "term"
  ],
  "additionalProperties": false
}

Output

{
  "type": "object",
  "properties": {
    "dataEntry": {
      "type": "object"
    },
    "feature": {
      "type": "object"
    },
    "model_uri": {
      "type": "string"
    },
    "query": {
      "type": "object"
    }
  }
}