M1 RetroScore API User Guide

Getting started

List batches

Request

GET

http://localhost:2222/api/v2/batch-search

Example

curl http://localhost:2222/api/v2/batch-search \
  -H "Authorization: ApiToken-v1 YOUR_API_TOKEN"

Response

Body application/json

A list of searches that conform to the following schema:

#id

string

Search ID.

#name

string

Search name.

Default value: part of the generated search ID if not specified in request

#size

int

Number of targets specified in the search request.

#inputParams

dictionary

parameters specified in the search request.

#searchParams

dictionary

Final parameters used to create the search request. They are a combination of inputParams and presetParams.

#priority

int

priority specified in the search request or its default value.

#createdAt

string

Search created date and time as an ISO 8601 formatted string.

#source

'web' | 'api_v2'

Origin of the search request.

#presetParams

dictionary

Parameters specified by chosen preset in the search request.

Default value: "Default for search" preset configured in the RetroScore interface

#presetName

string

Name of the preset applied to the search request.

Example

[
  {
    "id": "fc4aeeae-d7e5-44ce-910a-028b6a802ccc",
    "name": "my-search",
    "size": 3,
    "inputParams": {
      "availability_tier": 3,
      "length": "short",
      "model": "metro",
      "synthesis_scale": "millimolar",
      "reaction_confidence_threshold": "high",
      "min_reference_count": 10,
      "excluded_smiles": [],
      "min_n_providers": 3,
      "max_n_atoms": 1000,
      "max_price": 100000,
      "max_price_per_gram": 100000
    },
    "searchParams": {
      "detail_level": "best_path",
      "presets": {
        "model": "metro",
        "length": "short",
        "datasets": [{ "id": "emolecules" }],
        "synthesis_scale": "millimolar",
        "availability_tier": 3,
        "reaction_confidence_threshold": "high",
        "min_reference_count": 10,
        "excluded_smiles": [],
        "min_n_providers": 3,
        "max_n_atoms": 1000,
        "max_price": 100000,
        "max_price_per_gram": 100000
      }
    },
    "priority": 3,
    "createdAt": "2023-04-17T11:10:36.040Z",
    "source": "api_v2",
    "presetParams": {
      "availability_tier": 3,
      "datasets": [{ "id": "emolecules" }],
      "model": "metro",
      "length": "regular",
      "synthesis_scale": "millimolar",
      "reaction_confidence_threshold": "high",
      "min_reference_count": 10,
      "excluded_smiles": [],
      "min_n_providers": 3,
      "max_n_atoms": 1000,
      "max_price": 100000,
      "max_price_per_gram": 100000
    },
    "presetName": "base-parameters"
  }
]