v1

latestOpenAPI 3.0.22026-07-17171545.4 KB

Async Query V3 Backend

Deprecated, replaced with /start_query and /check_query

post/async_query_v3_backend

Request body

snapquery_idstring
query_idinteger
query_type'exact' | 'substructure' required
transform_order'first_order' | 'second_order' required
REQUIRED_propertiesstring
OPTIONAL_propertiesstring
snapfilter_idstring
snapfilter_stringstring

Example request

{
  "snapquery_id": "",
  "query_id": -1,
  "query_type": "exact",
  "transform_order": "first_order",
  "sketched_content": {
    "mol1_molfile": "\n  Ketcher  8112214332D 1   1.00000     0.00000     0\n\n  7  7  0  0  0  0            999 V2000\n    6.1042   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9702   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9702   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1042   -6.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2382   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2382   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1042   -3.2292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  2  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  6  1  0     0  0\n  6  1  2  0     0  0\n  1  7  1  0     0  0\nM  END\n",
    "mol1_variable_atoms": "6",
    "mol1_variable_bonds": "",
    "mol1_environment_atoms": "0",
    "mol1_environment_bonds": "",
    "mol2_molfile": "\n  Ketcher  8112214352D 1   1.00000     0.00000     0\n\n  7  7  0  0  0  0            999 V2000\n    6.4583   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3243   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3243   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4583   -6.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5923   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5923   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4583   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  2  0     0  0\n  3  4  1  0     0  0\n  4  5  2  0     0  0\n  5  6  1  0     0  0\n  6  1  2  0     0  0\n  1  7  1  0     0  0\nM  END\n",
    "mol2_variable_atoms": "6",
    "mol2_variable_bonds": "",
    "mol2_environment_atoms": "0",
    "mol2_environment_bonds": ""
  },
  "REQUIRED_properties": "",
  "OPTIONAL_properties": "hERG_pIC50",
  "snapfilter_id": "",
  "snapfilter_string": ""
}

Response

Successful Response

{"stackTrail":"paths:/async_query_v3_backend:post:responses:200:content:application/json:schema","oasType":"schema","type":"unknown"}