Chemaxon · Schema
AdvancedAutoRegisterRequest
CompanyCheminformaticsChemistryDrug DiscoveryLife SciencesMolecular ModelingSoftware Development Kits
Properties
| Name | Type | Description |
|---|---|---|
| source | string | Source |
| lotId | integer | Lot ID |
| lnbRef | string | LnbRef |
| alternativeIdentifierTypeIds | array | Alternative Identifier Type IDs |
| structure | object | Structure to be registered |
| preRegistration | boolean | Send submission to Staging |
| drawnStructure | object | Drawn structure |
| switchers | object | A map of <SystemSwitcher, Boolean> with non-default values that should be applied during this registration |
| matchOptions | object | Either register as new UNIQUE structure or ACCEPT as an existing one under a specified parent |
| systemSwitcherWrapper | object |
JSON Schema
{
"$schema": "https://json-schema.org/draft/2020-12/schema",
"$id": "https://artifacts.apis.io/chemaxon/json-schema/chemaxon-advanced-auto-register-request-schema.json",
"title": "AdvancedAutoRegisterRequest",
"x-generated": "2026-11-03",
"x-method": "derived",
"x-generator": "derive-json-schema.py",
"x-source": "openapi/chemaxon-compound-registration-openapi.yml#/components/schemas/AdvancedAutoRegisterRequest",
"type": "object",
"properties": {
"source": {
"type": "string",
"description": "Source"
},
"lotId": {
"type": "integer",
"format": "int64",
"description": "Lot ID"
},
"lnbRef": {
"type": "string",
"description": "LnbRef"
},
"alternativeIdentifierTypeIds": {
"type": "array",
"description": "Alternative Identifier Type IDs",
"items": {
"type": "integer",
"format": "int32"
}
},
"structure": {
"$ref": "#/$defs/RegistryStructure",
"description": "Structure to be registered"
},
"preRegistration": {
"type": "boolean",
"description": "Send submission to Staging"
},
"drawnStructure": {
"$ref": "#/$defs/RegistryStructure",
"description": "Drawn structure"
},
"switchers": {
"type": "object",
"additionalProperties": {
"type": "boolean"
},
"description": "A map of <SystemSwitcher, Boolean> with non-default values that should be applied during this registration"
},
"matchOptions": {
"$ref": "#/$defs/MatchOptions",
"description": "Either register as new UNIQUE structure or ACCEPT as an existing one under a specified parent"
},
"systemSwitcherWrapper": {
"$ref": "#/$defs/SystemSwitchersWrapper"
}
},
"required": [
"lnbRef",
"matchOptions",
"source",
"structure",
"switchers"
],
"$defs": {
"AdditionalData": {
"type": "object",
"properties": {
"name": {
"type": "string"
},
"value": {
"type": "string"
}
},
"required": [
"name",
"value"
]
},
"MatchOptions": {
"type": "object",
"properties": {
"action": {
"type": "string",
"enum": [
"ACCEPT",
"UNIQUE"
]
},
"pcn": {
"type": "string"
}
},
"required": [
"action"
]
},
"RegistryComponent": {
"type": "object",
"properties": {
"compId": {
"type": "string",
"description": "ID of the component structure if it already exists"
},
"molfile": {
"type": "string",
"description": "Representation of the compound in any format supported by JChem"
},
"helm": {
"type": "string",
"description": "Representation of the macromolecule compound in HELM format"
},
"range": {
"type": "string",
"description": "Component range in case of Mixture structure type"
},
"percentage": {
"type": "number",
"format": "float",
"description": "Exact component percentage in case of Formulation structure type"
},
"cst": {
"type": "string",
"description": "Chemically Significant Text (CST)"
},
"structureId": {
"type": "integer",
"format": "int64",
"description": "Structure ID"
},
"unknownId": {
"type": "integer",
"format": "int32",
"description": "Unknown ID"
},
"creatorId": {
"type": "string",
"deprecated": true,
"description": "The user who started the registration procedure"
}
},
"required": [
"compId",
"molfile"
]
},
"RegistryStructure": {
"type": "object",
"properties": {
"structureMolfile": {
"type": "string",
"description": "In the response object it contains the structure to be displayed"
},
"source": {
"type": "string",
"description": "Source"
},
"multiplicity": {
"type": "integer",
"format": "int32",
"description": "Parent multiplicity when a salt or solvate is added"
},
"unknownId": {
"type": "integer",
"format": "int32",
"description": "Unknown ID"
},
"restricted": {
"type": "integer",
"format": "int32",
"description": "Restriction Level"
},
"cst": {
"type": "string",
"description": "Chemically Significant Text (CST)"
},
"components": {
"type": "array",
"description": "In case of a Multi-Component Compound it contains the list of components, otherwise it contains only the single structure",
"items": {
"$ref": "#/$defs/RegistryComponent"
}
},
"saltsAndSolvates": {
"type": "array",
"description": "Salts and Solvates",
"items": {
"$ref": "#/$defs/SaltSolvate"
}
},
"mwt": {
"type": "number",
"description": "Molecular Weight (used only in response)"
},
"overridedMwt": {
"type": "number",
"description": "Specified Molecular Weight"
},
"mf": {
"type": "string",
"description": "Molecular Formula (used only in response)"
},
"structureType": {
"type": "string",
"description": "Structure Type",
"enum": [
"SINGLE",
"MIXTURE",
"FORMULATION",
"ISOMER",
"MARKUSH",
"ALTERNATE",
"POLYMER",
"NO_STRUCTURE",
"PEPTIDE"
]
},
"uniqueStructureId": {
"type": "string",
"description": "A unique identifier of the structure comprised of the structure's internal ID and the Version Fingerprint (used only in response)"
},
"additionalData": {
"type": "array",
"description": "Additional Data",
"items": {
"$ref": "#/$defs/AdditionalData"
}
},
"creatorId": {
"type": "string",
"deprecated": true,
"description": "The user who started the registration procedure."
},
"errorStructure": {
"type": "string"
},
"helm": {
"type": "string",
"description": "Representation of the macromolecule compound in HELM format",
"readOnly": true
}
},
"required": [
"components",
"multiplicity",
"source",
"structureType"
]
},
"SaltSolvate": {
"type": "object",
"properties": {
"id": {
"type": "integer",
"format": "int64",
"description": "Salt ID"
},
"multiplicity": {
"type": "number",
"format": "double",
"description": "Salt multiplicity"
},
"isSalt": {
"type": "boolean",
"description": "True in case of salt, false in case of solvate"
},
"name": {
"type": "string",
"description": "Salts and Solvates"
}
},
"required": [
"id",
"isSalt",
"multiplicity",
"name"
]
},
"SystemSwitchersWrapper": {
"type": "object",
"properties": {
"sysSwitchers": {
"type": "object",
"additionalProperties": {
"type": "boolean"
}
}
}
}
}
}
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