APIAPI reference
Reactions with structurally similar products
POST /v1/products/similar
POST /v1/products/similar
Authorization
This operation requires a bearer credential. The description defines additional role, scope or first-party-session restrictions; an API key does not grant those permissions by itself.
Request body
| Property | Type | Required | Details |
|---|---|---|---|
smiles | string | yes | Product set (SMILES) to compare by Morgan/Tanimoto similarity. |
threshold | number | no | Default: 0.5. |
limit | integer | no | Maximum records, from 1 to 100. Default: 10. |
validated_only | boolean | no | Default: true. |
Full schema: SimilarProductsRequest
{
"properties": {
"smiles": {
"type": "string",
"maxLength": 10000,
"minLength": 1,
"title": "Smiles",
"description": "Product set (SMILES) to compare by Morgan/Tanimoto similarity."
},
"threshold": {
"type": "number",
"maximum": 1,
"minimum": 0.05,
"title": "Threshold",
"default": 0.5
},
"limit": {
"type": "integer",
"maximum": 100,
"minimum": 1,
"title": "Limit",
"description": "Maximum records, from 1 to 100.",
"default": 10
},
"validated_only": {
"type": "boolean",
"title": "Validated Only",
"default": true
}
},
"additionalProperties": false,
"type": "object",
"required": [
"smiles"
],
"title": "SimilarProductsRequest"
}Responses
| HTTP | Details | Type |
|---|---|---|
| 200 | Successful Response | application/json: SimilarProductsResult |
| 401 | Unauthorized | application/problem+json: ProblemDetails |
| 402 | Payment Required | application/problem+json: ProblemDetails |
| 403 | Forbidden | application/problem+json: ProblemDetails |
| 408 | Request Timeout | application/problem+json: ProblemDetails |
| 413 | Request Entity Too Large | application/problem+json: ProblemDetails |
| 422 | Unprocessable Entity | application/problem+json: ProblemDetails |
| 429 | Too Many Requests | application/problem+json: ProblemDetails |
| 502 | Bad Gateway | application/problem+json: ProblemDetails |
| 503 | Service Unavailable | application/problem+json: ProblemDetails |
Response: SimilarProductsResult
| Property | Type | Required | Details |
|---|---|---|---|
items | SimilarProduct[] | yes | |
metric | string | yes | |
fingerprint | string | yes | |
threshold | number | yes | |
scanned_candidates | integer | yes | |
search_is_exact_over_fingerprints | boolean | yes | |
is_reaction_prediction | boolean | yes | |
limitation | string | yes |
Full schema
{
"properties": {
"items": {
"items": {
"$ref": "#/components/schemas/SimilarProduct"
},
"type": "array",
"title": "Items"
},
"metric": {
"type": "string",
"const": "Tanimoto",
"title": "Metric"
},
"fingerprint": {
"type": "string",
"title": "Fingerprint"
},
"threshold": {
"type": "number",
"title": "Threshold"
},
"scanned_candidates": {
"type": "integer",
"title": "Scanned Candidates"
},
"search_is_exact_over_fingerprints": {
"type": "boolean",
"title": "Search Is Exact Over Fingerprints"
},
"is_reaction_prediction": {
"type": "boolean",
"title": "Is Reaction Prediction"
},
"limitation": {
"type": "string",
"title": "Limitation"
}
},
"additionalProperties": true,
"type": "object",
"required": [
"items",
"metric",
"fingerprint",
"threshold",
"scanned_candidates",
"search_is_exact_over_fingerprints",
"is_reaction_prediction",
"limitation"
],
"title": "SimilarProductsResult"
}This page is generated from OpenAPI; examples are schemas, not a fabricated successful response.