APIAPI reference
Readable chemical formulas, equations and optional InChI
POST /v1/chemistry/convert
POST /v1/chemistry/convert
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 | |
include_inchi | boolean | no | Default: false. |
Full schema: ConvertSmilesRequest
{
"properties": {
"smiles": {
"type": "string",
"maxLength": 10000,
"minLength": 1,
"title": "Smiles"
},
"include_inchi": {
"type": "boolean",
"title": "Include Inchi",
"default": false
}
},
"additionalProperties": false,
"type": "object",
"required": [
"smiles"
],
"title": "ConvertSmilesRequest"
}Responses
| HTTP | Details | Type |
|---|---|---|
| 200 | Successful Response | application/json: SmilesConversionResult |
| 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: SmilesConversionResult
| Property | Type | Required | Details |
|---|---|---|---|
kind | "molecule" ∣ "reaction" | yes | |
original_smiles | string | yes | |
canonical_smiles | string | yes | |
ascii | string | yes | |
unicode | string | yes | |
molecules | ConvertedCompound[] | yes | |
reactants | ConvertedCompound[] | yes | |
agents | ConvertedCompound[] | yes | |
products | ConvertedCompound[] | yes | |
atom_balance | AtomConservation ∣ null | yes | |
lossy_formula_display | boolean | yes | |
limitations | string[] | yes |
Full schema
{
"properties": {
"kind": {
"type": "string",
"enum": [
"molecule",
"reaction"
],
"title": "Kind"
},
"original_smiles": {
"type": "string",
"title": "Original Smiles"
},
"canonical_smiles": {
"type": "string",
"title": "Canonical Smiles"
},
"ascii": {
"type": "string",
"title": "Ascii"
},
"unicode": {
"type": "string",
"title": "Unicode"
},
"molecules": {
"items": {
"$ref": "#/components/schemas/ConvertedCompound"
},
"type": "array",
"title": "Molecules"
},
"reactants": {
"items": {
"$ref": "#/components/schemas/ConvertedCompound"
},
"type": "array",
"title": "Reactants"
},
"agents": {
"items": {
"$ref": "#/components/schemas/ConvertedCompound"
},
"type": "array",
"title": "Agents"
},
"products": {
"items": {
"$ref": "#/components/schemas/ConvertedCompound"
},
"type": "array",
"title": "Products"
},
"atom_balance": {
"anyOf": [
{
"$ref": "#/components/schemas/AtomConservation"
},
{
"type": "null"
}
]
},
"lossy_formula_display": {
"type": "boolean",
"const": true,
"title": "Lossy Formula Display"
},
"limitations": {
"items": {
"type": "string"
},
"type": "array",
"title": "Limitations"
}
},
"additionalProperties": true,
"type": "object",
"required": [
"kind",
"original_smiles",
"canonical_smiles",
"ascii",
"unicode",
"molecules",
"reactants",
"agents",
"products",
"atom_balance",
"lossy_formula_display",
"limitations"
],
"title": "SmilesConversionResult"
}This page is generated from OpenAPI; examples are schemas, not a fabricated successful response.