Chemaxon · JSON-LD Context
Chemaxon Context
JSON-LD context defining the semantic vocabulary for Chemaxon from Chemaxon.
120 Classes
276 Properties
4 Namespaces
Namespaces
schema:
https://schema.org/
xsd:
http://www.w3.org/2001/XMLSchema#
dcterms:
http://purl.org/dc/terms/
chemaxon:
https://chemaxon.com/schema#
Classes
ActivityTrainingRecord
AggregatedCalculationsRequest
AggregatedCalculationsResult
AtomDoubleEntry
AtomIntEntry
AtomNumberIsotopeCountTriplet
AtomNumberIsotopePair
AtomReference
BBBProperty
BBBResult
BatchAggregatedCalculationsRequest
BatchAggregatedCalculationsResult
BondDescriptorResult
CalculationsRequest
CalculatorsStructureRequestCanonicalTautomerRequest
CalculatorsStructureRequestChargeRequest
CalculatorsStructureRequestChemTermRequest
CalculatorsStructureRequestConformationRequest
CalculatorsStructureRequestDominantTautomerRequest
CalculatorsStructureRequestEmptyRequest
CalculatorsStructureRequestHBDARequest
CalculatorsStructureRequestHergActivityRequest
CalculatorsStructureRequestHergClassRequest
CalculatorsStructureRequestIsoelectricPointRequest
CalculatorsStructureRequestLogDRequest
CalculatorsStructureRequestLogPRequest
CalculatorsStructureRequestMajorMicrospeciesRequest
CalculatorsStructureRequestNmrRequest
CalculatorsStructureRequestPartialElementalAnalysisRequest
CalculatorsStructureRequestPkaDistributionRequest
CalculatorsStructureRequestPkaRequest
CalculatorsStructureRequestPolarSurfaceAreaRequest
CalculatorsStructureRequestSolubilityRequest
CalculatorsStructureRequestStereoisomerRequest
CalculatorsStructureRequestTopologyAnalyserRequest
CanonicalTautomerRequest
CanonicalTautomerResult
ChargeRequest
ChargeResult
ClassProbability
ClassTrainingRecord
CnsMpoResult
ConformationRequest
ConformerResult
DistributionElement
DominantTautomerRequest
DominantTautomerResult
ElementalAnalysisCalculatorsStructureRequest
ElementalAnalysisRequest
ElementalAnalysisResult
ErrorDescriptor
HBDARequest
HBDAResult
HLBResult
HergActivityResult
HergClassResult
IsoelectricPointRequest
IsoelectricPointResult
LogDEntry
LogDRequest
LogDResult
LogDValueDetails
LogPRequest
LogPResult
MajorMicrospeciesRequest
MajorMicrospeciesResult
Multiplet
NmrRequest
NmrResult
OptionalResultBBBResult
OptionalResultCanonicalTautomerResult
OptionalResultChargeResult
OptionalResultCnsMpoResult
OptionalResultDominantTautomerResult
OptionalResultElementalAnalysisResult
OptionalResultHBDAResult
OptionalResultHLBResult
OptionalResultIsoelectricPointResult
OptionalResultListConformerResult
OptionalResultLogDResult
OptionalResultLogPResult
OptionalResultMajorMicrospeciesResult
OptionalResultNmrResult
OptionalResultPkaDistributionResult
OptionalResultPkaResult
OptionalResultPolarSurfaceAreaResult
OptionalResultSolubilityResult
OptionalResultStereoisomerResult
OptionalResultTopologyAnalyserResult
PartialElementalAnalysisResult
PhDoubleEntry
PhSequence
PkaDistributionRequest
PkaDistributionResult
PkaRequest
PkaResult
PolarSurfaceAreaRequest
PolarSurfaceAreaResult
Property
SolubilityRequest
SolubilityResult
StereoisomerRequest
StereoisomerResult
StructureDistributionByPh
TopologyAnalyserRequest
TopologyAnalyserResult
AdditionalData
AdditionalDataChange
AdditionalDataUpdateRequest
AdvancedAutoRegisterRequest
AdvancedRegisterRequest
AmendBulkField
AmendBulkRowWithStructure
AmendStructureRequest
AmendStructureResponse
AmendmentData
AmendmentIDResult
AmendmentResponse
AmendmentStatistics
ApplySwitchersRequest
Properties
| Property | Type | Container |
|---|---|---|
| pAct | decimal | |
| similarity | decimal | |
| structure | string | |
| calculations | reference | |
| inputFormat | string | |
| bbb | reference | |
| charge | reference | |
| cns-mpo | reference | |
| conformer | reference | |
| elemental-analysis | reference | |
| hbda | reference | |
| hlb | reference | |
| isoelectric-point | reference | |
| logd | reference | |
| logp | reference | |
| major-microspecies | reference | |
| nmr | reference | |
| pka | reference | |
| pka-distribution | reference | |
| polar-surface-area | reference | |
| solubility | reference | |
| stereoisomer | reference | |
| tautomerization-canonical | reference | |
| tautomerization-dominant | reference | |
| topology-analyser | reference | |
| atomId | string | |
| atomIndex | integer | |
| value | decimal | |
| atomNumber | integer | |
| count | integer | |
| isotopeNumber | integer | |
| isExplicitH | boolean | |
| multipliedScore | decimal | |
| name | string | |
| score | decimal | |
| properties | list | |
| structures | list | |
| results | list | |
| atomIndices | list | |
| bondIndex | integer | |
| normalTautomerGenerationMode | boolean | |
| resultMoleculeFormat | string | |
| ph | decimal | |
| chemterm | string | |
| conformerCount | integer | |
| diversity | decimal | |
| outputFormat | string | |
| timeLimit | integer | |
| excludeHalogens | boolean | |
| excludeSulfur | boolean | |
| outputStructureIncluded | boolean | |
| pH | decimal | |
| pHStep | decimal | |
| precision | integer | |
| detailedResult | boolean | |
| phList | list | |
| phSequence | reference | |
| atomIncrements | boolean | |
| method | string | |
| keepExplicitHydrogens | boolean | |
| takeMajorTautomericForm | boolean | |
| coupled | boolean | |
| frequency | decimal | |
| implicitHydrogenMode | boolean | |
| nucleus | string | |
| resolution | decimal | |
| unit | string | |
| ids | list | |
| indexes | list | |
| considerTautomerization | boolean | |
| pKaLowerLimit | decimal | |
| pKaUpperLimit | decimal | |
| temperature | decimal | |
| micro | boolean | |
| prefix | string | |
| types | string | |
| excludePhosphorus | boolean | |
| maxStereoisomerCount | integer | |
| outputIn3d | boolean | |
| protectDoubleBondStereo | boolean | |
| protectTetrahedralStereo | boolean | |
| type | string | |
| verify3d | boolean | |
| aliphaticRingSize | integer | |
| aromaticRingSize | integer | |
| aromatizationMethod | string | |
| carboRingSize | integer | |
| fusedAliphaticRingSize | integer | |
| fusedAromaticRingSize | integer | |
| heteroAliphaticRingSize | integer | |
| heteroAromaticRingSize | integer | |
| heteroRingSize | integer | |
| operations | string | |
| ringSize | integer | |
| ringSystemSize | integer | |
| formalCharge | integer | |
| formalChargeByAtom | list | |
| totalChargeByAtom | list | |
| hergClass | string | |
| probability | decimal | |
| energy | decimal | |
| P | decimal | |
| S | string | |
| structureDistribution | list | |
| countAtoms | list | |
| countIsotopes | list | |
| symbolID | boolean | |
| allAtomCount | integer | |
| atomCounts | ||
| composition | string | |
| dotDisconnectedFormalChargeFormula | string | |
| dotDisconnectedFormula | string | |
| dotDisconnectedIsotopeFormalChargeFormula | string | |
| dotDisconnectedIsotopeFormula | string | |
| exactMass | decimal | |
| formalChargeFormula | string | |
| formula | string | |
| groupedDotDisconnectedFormula | string | |
| heavyAtomCount | integer | |
| isotopeComposition | string | |
| isotopeCount | list | |
| isotopeDistribution | list | |
| isotopeFormalChargeFormula | string | |
| isotopeFormula | string | |
| mass | decimal | |
| message | string | |
| acceptorAtomCount | integer | |
| acceptorSiteCount | integer | |
| acceptorSiteCountsByAtomIndex | list | |
| donorAtomCount | integer | |
| donorSiteCount | integer | |
| donorSiteCountsByAtomIndex | list | |
| cxnHlbValue | decimal | |
| daviesHlbValue | decimal | |
| griffinHlbValue | decimal | |
| requiredHLBValue | decimal | |
| mostSimilars | list | |
| pActError | decimal | |
| hergClassError | list | |
| probabilities | list | |
| chargeDistribution | list | |
| isoelectricPoint | decimal | |
| details | list | |
| logDByPh | list | |
| coefficient | decimal | |
| microspecies | string | |
| percentage | decimal | |
| logP | decimal | |
| logPByAtom | list | |
| atomIndexes | list | |
| couplingConstants | list | |
| couplingNeeded | boolean | |
| domainMax | decimal | |
| domainMin | decimal | |
| intensity | decimal | |
| multiplicity | string | |
| shift | decimal | |
| shiftErrorClassification | string | |
| atomReferences | list | |
| multiplets | list | |
| xy | list | |
| error | reference | |
| structureDistributionsByPh | list | |
| acidicValuesByAtom | list | |
| basicValuesByAtom | list | |
| maxBasicValue | decimal | |
| minAcidicValue | decimal | |
| pkaValuesByAtom | list | |
| polarSurfaceArea | decimal | |
| intrinsicSolubility | decimal | |
| phDependentSolubilities | list | |
| molecules | list | |
| aliphaticAtomCount | integer | |
| aliphaticBondCount | integer | |
| aliphaticRingCount | integer | |
| aliphaticRings | list | |
| aromaticAtomCount | integer | |
| aromaticBondCount | integer | |
| aromaticRingCount | integer | |
| aromaticRings | list | |
| asymmmetricAtoms | list | |
| balabanIndex | decimal | |
| bondCount | integer | |
| carboAliphaticRingCount | integer | |
| carboAromaticRingCount | integer | |
| carboRingCount | integer | |
| carboRings | list | |
| chainAtomCount | integer | |
| chainBondCount | integer | |
| chiralCenterCount | integer | |
| chiralCenters | list | |
| coloredLargestConjugatedSystem | string | |
| cyclomaticNumber | integer | |
| distanceDegree | list | |
| eccentricity | list | |
| fragmentCount | integer | |
| fsp3 | decimal | |
| fusedAliphaticRingCount | integer | |
| fusedAliphaticRings | list | |
| fusedAromaticRingCount | integer | |
| fusedAromaticRings | list | |
| fusedRingCount | integer | |
| hararyIndex | decimal | |
| heteroAliphaticRingCount | integer | |
| heteroAliphaticRings | list | |
| heteroAromaticRingCount | integer | |
| heteroAromaticRings | list | |
| heteroRingCount | integer | |
| heteroRings | list | |
| hyperWienerIndex | integer | |
| isConnectedGraph | boolean | |
| largestConjugatedSystem | list | |
| largestConjugatedSystemSize | integer | |
| largestRing | list | |
| largestRingSize | integer | |
| largestRingSizeOfAtom | list | |
| largestRingSystem | list | |
| largestRingSystemSize | integer | |
| plattIndex | integer | |
| possibleCTBondCount | integer | |
| possibleCTBonds | list | |
| randicIndex | decimal | |
| ringAtomCount | integer | |
| ringBondCount | integer | |
| ringCount | integer | |
| ringCountOfAtom | list | |
| ringSystemCount | integer | |
| ringSystems | list | |
| rings | list | |
| rotatableBondCount | integer | |
| smallestRing | list | |
| smallestRingSize | integer | |
| smallestRingSizeOfAtom | list | |
| smallestRingSystem | list | |
| smallestRingSystemSize | integer | |
| stereoDoubleBondCount | integer | |
| stericEffect | list | |
| szegedIndex | integer | |
| wienerIndex | integer | |
| wienerPolarity | integer | |
| atomCount | integer | |
| radical | integer | |
| pHLower | decimal | |
| pHUpper | decimal | |
| percentages | list | |
| errorMessage | string | |
| id | string | |
| idType | string | |
| additionalData | list | |
| source | string | |
| lotId | integer | |
| lnbRef | string | |
| alternativeIdentifierTypeIds | list | |
| preRegistration | boolean | |
| drawnStructure | reference | |
| switchers | ||
| matchOptions | reference | |
| systemSwitcherWrapper | reference | |
| submissionId | integer | |
| checkers | list | |
| field | string | |
| uploadId | integer | |
| rowIndex | integer | |
| identifier | string | |
| status | reference | |
| fields | list | |
| data | list | |
| matchOption | reference | |
| amendmentId | integer | |
| affectedCompounds | list | |
| original | string | |
| result | string | |
| label | string | |
| tag | string | |
| amendmentStatus | string | |
| format | string |
JSON-LD Document
{
"@context": {
"@vocab": "https://chemaxon.com/schema#",
"schema": "https://schema.org/",
"xsd": "http://www.w3.org/2001/XMLSchema#",
"dcterms": "http://purl.org/dc/terms/",
"chemaxon": "https://chemaxon.com/schema#",
"ActivityTrainingRecord": "chemaxon:ActivityTrainingRecord",
"pAct": {
"@id": "chemaxon:pAct",
"@type": "xsd:decimal"
},
"similarity": {
"@id": "chemaxon:similarity",
"@type": "xsd:decimal"
},
"structure": {
"@id": "chemaxon:structure",
"@type": "xsd:string"
},
"AggregatedCalculationsRequest": "chemaxon:AggregatedCalculationsRequest",
"calculations": {
"@id": "chemaxon:calculations",
"@type": "@id"
},
"inputFormat": {
"@id": "chemaxon:inputFormat",
"@type": "xsd:string"
},
"AggregatedCalculationsResult": "chemaxon:AggregatedCalculationsResult",
"bbb": {
"@id": "chemaxon:bbb",
"@type": "@id"
},
"charge": {
"@id": "chemaxon:charge",
"@type": "@id"
},
"cns-mpo": {
"@id": "chemaxon:cns-mpo",
"@type": "@id"
},
"conformer": {
"@id": "chemaxon:conformer",
"@type": "@id"
},
"elemental-analysis": {
"@id": "chemaxon:elemental-analysis",
"@type": "@id"
},
"hbda": {
"@id": "chemaxon:hbda",
"@type": "@id"
},
"hlb": {
"@id": "chemaxon:hlb",
"@type": "@id"
},
"isoelectric-point": {
"@id": "chemaxon:isoelectric-point",
"@type": "@id"
},
"logd": {
"@id": "chemaxon:logd",
"@type": "@id"
},
"logp": {
"@id": "chemaxon:logp",
"@type": "@id"
},
"major-microspecies": {
"@id": "chemaxon:major-microspecies",
"@type": "@id"
},
"nmr": {
"@id": "chemaxon:nmr",
"@type": "@id"
},
"pka": {
"@id": "chemaxon:pka",
"@type": "@id"
},
"pka-distribution": {
"@id": "chemaxon:pka-distribution",
"@type": "@id"
},
"polar-surface-area": {
"@id": "chemaxon:polar-surface-area",
"@type": "@id"
},
"solubility": {
"@id": "chemaxon:solubility",
"@type": "@id"
},
"stereoisomer": {
"@id": "chemaxon:stereoisomer",
"@type": "@id"
},
"tautomerization-canonical": {
"@id": "chemaxon:tautomerization-canonical",
"@type": "@id"
},
"tautomerization-dominant": {
"@id": "chemaxon:tautomerization-dominant",
"@type": "@id"
},
"topology-analyser": {
"@id": "chemaxon:topology-analyser",
"@type": "@id"
},
"AtomDoubleEntry": "chemaxon:AtomDoubleEntry",
"atomId": {
"@id": "chemaxon:atomId",
"@type": "xsd:string"
},
"atomIndex": {
"@id": "chemaxon:atomIndex",
"@type": "xsd:integer"
},
"value": {
"@id": "chemaxon:value",
"@type": "xsd:decimal"
},
"AtomIntEntry": "chemaxon:AtomIntEntry",
"AtomNumberIsotopeCountTriplet": "chemaxon:AtomNumberIsotopeCountTriplet",
"atomNumber": {
"@id": "chemaxon:atomNumber",
"@type": "xsd:integer"
},
"count": {
"@id": "chemaxon:count",
"@type": "xsd:integer"
},
"isotopeNumber": {
"@id": "chemaxon:isotopeNumber",
"@type": "xsd:integer"
},
"AtomNumberIsotopePair": "chemaxon:AtomNumberIsotopePair",
"AtomReference": "chemaxon:AtomReference",
"isExplicitH": {
"@id": "chemaxon:isExplicitH",
"@type": "xsd:boolean"
},
"BBBProperty": "chemaxon:BBBProperty",
"multipliedScore": {
"@id": "chemaxon:multipliedScore",
"@type": "xsd:decimal"
},
"name": {
"@id": "chemaxon:name",
"@type": "xsd:string"
},
"score": {
"@id": "chemaxon:score",
"@type": "xsd:decimal"
},
"BBBResult": "chemaxon:BBBResult",
"properties": {
"@id": "chemaxon:properties",
"@container": "@list"
},
"BatchAggregatedCalculationsRequest": "chemaxon:BatchAggregatedCalculationsRequest",
"structures": {
"@id": "chemaxon:structures",
"@container": "@list"
},
"BatchAggregatedCalculationsResult": "chemaxon:BatchAggregatedCalculationsResult",
"results": {
"@id": "chemaxon:results",
"@container": "@list"
},
"BondDescriptorResult": "chemaxon:BondDescriptorResult",
"atomIndices": {
"@id": "chemaxon:atomIndices",
"@container": "@list"
},
"bondIndex": {
"@id": "chemaxon:bondIndex",
"@type": "xsd:integer"
},
"CalculationsRequest": "chemaxon:CalculationsRequest",
"CalculatorsStructureRequestCanonicalTautomerRequest": "chemaxon:CalculatorsStructureRequestCanonicalTautomerRequest",
"normalTautomerGenerationMode": {
"@id": "chemaxon:normalTautomerGenerationMode",
"@type": "xsd:boolean"
},
"resultMoleculeFormat": {
"@id": "chemaxon:resultMoleculeFormat",
"@type": "xsd:string"
},
"CalculatorsStructureRequestChargeRequest": "chemaxon:CalculatorsStructureRequestChargeRequest",
"ph": {
"@id": "chemaxon:ph",
"@type": "xsd:decimal"
},
"CalculatorsStructureRequestChemTermRequest": "chemaxon:CalculatorsStructureRequestChemTermRequest",
"chemterm": {
"@id": "chemaxon:chemterm",
"@type": "xsd:string"
},
"CalculatorsStructureRequestConformationRequest": "chemaxon:CalculatorsStructureRequestConformationRequest",
"conformerCount": {
"@id": "chemaxon:conformerCount",
"@type": "xsd:integer"
},
"diversity": {
"@id": "chemaxon:diversity",
"@type": "xsd:decimal"
},
"outputFormat": {
"@id": "chemaxon:outputFormat",
"@type": "xsd:string"
},
"timeLimit": {
"@id": "chemaxon:timeLimit",
"@type": "xsd:integer"
},
"CalculatorsStructureRequestDominantTautomerRequest": "chemaxon:CalculatorsStructureRequestDominantTautomerRequest",
"CalculatorsStructureRequestEmptyRequest": "chemaxon:CalculatorsStructureRequestEmptyRequest",
"CalculatorsStructureRequestHBDARequest": "chemaxon:CalculatorsStructureRequestHBDARequest",
"excludeHalogens": {
"@id": "chemaxon:excludeHalogens",
"@type": "xsd:boolean"
},
"excludeSulfur": {
"@id": "chemaxon:excludeSulfur",
"@type": "xsd:boolean"
},
"outputStructureIncluded": {
"@id": "chemaxon:outputStructureIncluded",
"@type": "xsd:boolean"
},
"pH": {
"@id": "chemaxon:pH",
"@type": "xsd:decimal"
},
"CalculatorsStructureRequestHergActivityRequest": "chemaxon:CalculatorsStructureRequestHergActivityRequest",
"CalculatorsStructureRequestHergClassRequest": "chemaxon:CalculatorsStructureRequestHergClassRequest",
"CalculatorsStructureRequestIsoelectricPointRequest": "chemaxon:CalculatorsStructureRequestIsoelectricPointRequest",
"pHStep": {
"@id": "chemaxon:pHStep",
"@type": "xsd:decimal"
},
"precision": {
"@id": "chemaxon:precision",
"@type": "xsd:integer"
},
"CalculatorsStructureRequestLogDRequest": "chemaxon:CalculatorsStructureRequestLogDRequest",
"detailedResult": {
"@id": "chemaxon:detailedResult",
"@type": "xsd:boolean"
},
"phList": {
"@id": "chemaxon:phList",
"@container": "@list"
},
"phSequence": {
"@id": "chemaxon:phSequence",
"@type": "@id"
},
"CalculatorsStructureRequestLogPRequest": "chemaxon:CalculatorsStructureRequestLogPRequest",
"atomIncrements": {
"@id": "chemaxon:atomIncrements",
"@type": "xsd:boolean"
},
"method": {
"@id": "chemaxon:method",
"@type": "xsd:string"
},
"CalculatorsStructureRequestMajorMicrospeciesRequest": "chemaxon:CalculatorsStructureRequestMajorMicrospeciesRequest",
"keepExplicitHydrogens": {
"@id": "chemaxon:keepExplicitHydrogens",
"@type": "xsd:boolean"
},
"takeMajorTautomericForm": {
"@id": "chemaxon:takeMajorTautomericForm",
"@type": "xsd:boolean"
},
"CalculatorsStructureRequestNmrRequest": "chemaxon:CalculatorsStructureRequestNmrRequest",
"coupled": {
"@id": "chemaxon:coupled",
"@type": "xsd:boolean"
},
"frequency": {
"@id": "chemaxon:frequency",
"@type": "xsd:decimal"
},
"implicitHydrogenMode": {
"@id": "chemaxon:implicitHydrogenMode",
"@type": "xsd:boolean"
},
"nucleus": {
"@id": "chemaxon:nucleus",
"@type": "xsd:string"
},
"resolution": {
"@id": "chemaxon:resolution",
"@type": "xsd:decimal"
},
"unit": {
"@id": "chemaxon:unit",
"@type": "xsd:string"
},
"CalculatorsStructureRequestPartialElementalAnalysisRequest": "chemaxon:CalculatorsStructureRequestPartialElementalAnalysisRequest",
"ids": {
"@id": "chemaxon:ids",
"@container": "@list"
},
"indexes": {
"@id": "chemaxon:indexes",
"@container": "@list"
},
"CalculatorsStructureRequestPkaDistributionRequest": "chemaxon:CalculatorsStructureRequestPkaDistributionRequest",
"considerTautomerization": {
"@id": "chemaxon:considerTautomerization",
"@type": "xsd:boolean"
},
"pKaLowerLimit": {
"@id": "chemaxon:pKaLowerLimit",
"@type": "xsd:decimal"
},
"pKaUpperLimit": {
"@id": "chemaxon:pKaUpperLimit",
"@type": "xsd:decimal"
},
"temperature": {
"@id": "chemaxon:temperature",
"@type": "xsd:decimal"
},
"CalculatorsStructureRequestPkaRequest": "chemaxon:CalculatorsStructureRequestPkaRequest",
"micro": {
"@id": "chemaxon:micro",
"@type": "xsd:boolean"
},
"prefix": {
"@id": "chemaxon:prefix",
"@type": "xsd:string"
},
"types": {
"@id": "chemaxon:types",
"@type": "xsd:string"
},
"CalculatorsStructureRequestPolarSurfaceAreaRequest": "chemaxon:CalculatorsStructureRequestPolarSurfaceAreaRequest",
"excludePhosphorus": {
"@id": "chemaxon:excludePhosphorus",
"@type": "xsd:boolean"
},
"CalculatorsStructureRequestSolubilityRequest": "chemaxon:CalculatorsStructureRequestSolubilityRequest",
"CalculatorsStructureRequestStereoisomerRequest": "chemaxon:CalculatorsStructureRequestStereoisomerRequest",
"maxStereoisomerCount": {
"@id": "chemaxon:maxStereoisomerCount",
"@type": "xsd:integer"
},
"outputIn3d": {
"@id": "chemaxon:outputIn3d",
"@type": "xsd:boolean"
},
"protectDoubleBondStereo": {
"@id": "chemaxon:protectDoubleBondStereo",
"@type": "xsd:boolean"
},
"protectTetrahedralStereo": {
"@id": "chemaxon:protectTetrahedralStereo",
"@type": "xsd:boolean"
},
"type": {
"@id": "chemaxon:type",
"@type": "xsd:string"
},
"verify3d": {
"@id": "chemaxon:verify3d",
"@type": "xsd:boolean"
},
"CalculatorsStructureRequestTopologyAnalyserRequest": "chemaxon:CalculatorsStructureRequestTopologyAnalyserRequest",
"aliphaticRingSize": {
"@id": "chemaxon:aliphaticRingSize",
"@type": "xsd:integer"
},
"aromaticRingSize": {
"@id": "chemaxon:aromaticRingSize",
"@type": "xsd:integer"
},
"aromatizationMethod": {
"@id": "chemaxon:aromatizationMethod",
"@type": "xsd:string"
},
"carboRingSize": {
"@id": "chemaxon:carboRingSize",
"@type": "xsd:integer"
},
"fusedAliphaticRingSize": {
"@id": "chemaxon:fusedAliphaticRingSize",
"@type": "xsd:integer"
},
"fusedAromaticRingSize": {
"@id": "chemaxon:fusedAromaticRingSize",
"@type": "xsd:integer"
},
"heteroAliphaticRingSize": {
"@id": "chemaxon:heteroAliphaticRingSize",
"@type": "xsd:integer"
},
"heteroAromaticRingSize": {
"@id": "chemaxon:heteroAromaticRingSize",
"@type": "xsd:integer"
},
"heteroRingSize": {
"@id": "chemaxon:heteroRingSize",
"@type": "xsd:integer"
},
"operations": {
"@id": "chemaxon:operations",
"@type": "xsd:string"
},
"ringSize": {
"@id": "chemaxon:ringSize",
"@type": "xsd:integer"
},
"ringSystemSize": {
"@id": "chemaxon:ringSystemSize",
"@type": "xsd:integer"
},
"CanonicalTautomerRequest": "chemaxon:CanonicalTautomerRequest",
"CanonicalTautomerResult": "chemaxon:CanonicalTautomerResult",
"ChargeRequest": "chemaxon:ChargeRequest",
"ChargeResult": "chemaxon:ChargeResult",
"formalCharge": {
"@id": "chemaxon:formalCharge",
"@type": "xsd:integer"
},
"formalChargeByAtom": {
"@id": "chemaxon:formalChargeByAtom",
"@container": "@list"
},
"totalChargeByAtom": {
"@id": "chemaxon:totalChargeByAtom",
"@container": "@list"
},
"ClassProbability": "chemaxon:ClassProbability",
"hergClass": {
"@id": "chemaxon:hergClass",
"@type": "xsd:string"
},
"probability": {
"@id": "chemaxon:probability",
"@type": "xsd:decimal"
},
"ClassTrainingRecord": "chemaxon:ClassTrainingRecord",
"CnsMpoResult": "chemaxon:CnsMpoResult",
"ConformationRequest": "chemaxon:ConformationRequest",
"ConformerResult": "chemaxon:ConformerResult",
"energy": {
"@id": "chemaxon:energy",
"@type": "xsd:decimal"
},
"DistributionElement": "chemaxon:DistributionElement",
"P": {
"@id": "chemaxon:P",
"@type": "xsd:decimal"
},
"S": {
"@id": "chemaxon:S",
"@type": "xsd:string"
},
"DominantTautomerRequest": "chemaxon:DominantTautomerRequest",
"DominantTautomerResult": "chemaxon:DominantTautomerResult",
"structureDistribution": {
"@id": "chemaxon:structureDistribution",
"@container": "@list"
},
"ElementalAnalysisCalculatorsStructureRequest": "chemaxon:ElementalAnalysisCalculatorsStructureRequest",
"countAtoms": {
"@id": "chemaxon:countAtoms",
"@container": "@list"
},
"countIsotopes": {
"@id": "chemaxon:countIsotopes",
"@container": "@list"
},
"symbolID": {
"@id": "chemaxon:symbolID",
"@type": "xsd:boolean"
},
"ElementalAnalysisRequest": "chemaxon:ElementalAnalysisRequest",
"ElementalAnalysisResult": "chemaxon:ElementalAnalysisResult",
"allAtomCount": {
"@id": "chemaxon:allAtomCount",
"@type": "xsd:integer"
},
"atomCounts": {
"@id": "chemaxon:atomCounts"
},
"composition": {
"@id": "chemaxon:composition",
"@type": "xsd:string"
},
"dotDisconnectedFormalChargeFormula": {
"@id": "chemaxon:dotDisconnectedFormalChargeFormula",
"@type": "xsd:string"
},
"dotDisconnectedFormula": {
"@id": "chemaxon:dotDisconnectedFormula",
"@type": "xsd:string"
},
"dotDisconnectedIsotopeFormalChargeFormula": {
"@id": "chemaxon:dotDisconnectedIsotopeFormalChargeFormula",
"@type": "xsd:string"
},
"dotDisconnectedIsotopeFormula": {
"@id": "chemaxon:dotDisconnectedIsotopeFormula",
"@type": "xsd:string"
},
"exactMass": {
"@id": "chemaxon:exactMass",
"@type": "xsd:decimal"
},
"formalChargeFormula": {
"@id": "chemaxon:formalChargeFormula",
"@type": "xsd:string"
},
"formula": {
"@id": "chemaxon:formula",
"@type": "xsd:string"
},
"groupedDotDisconnectedFormula": {
"@id": "chemaxon:groupedDotDisconnectedFormula",
"@type": "xsd:string"
},
"heavyAtomCount": {
"@id": "chemaxon:heavyAtomCount",
"@type": "xsd:integer"
},
"isotopeComposition": {
"@id": "chemaxon:isotopeComposition",
"@type": "xsd:string"
},
"isotopeCount": {
"@id": "chemaxon:isotopeCount",
"@container": "@list"
},
"isotopeDistribution": {
"@id": "chemaxon:isotopeDistribution",
"@container": "@list"
},
"isotopeFormalChargeFormula": {
"@id": "chemaxon:isotopeFormalChargeFormula",
"@type": "xsd:string"
},
"isotopeFormula": {
"@id": "chemaxon:isotopeFormula",
"@type": "xsd:string"
},
"mass": {
"@id": "chemaxon:mass",
"@type": "xsd:decimal"
},
"ErrorDescriptor": "chemaxon:ErrorDescriptor",
"message": {
"@id": "chemaxon:message",
"@type": "xsd:string"
},
"HBDARequest": "chemaxon:HBDARequest",
"HBDAResult": "chemaxon:HBDAResult",
"acceptorAtomCount": {
"@id": "chemaxon:acceptorAtomCount",
"@type": "xsd:integer"
},
"acceptorSiteCount": {
"@id": "chemaxon:acceptorSiteCount",
"@type": "xsd:integer"
},
"acceptorSiteCountsByAtomIndex": {
"@id": "chemaxon:acceptorSiteCountsByAtomIndex",
"@container": "@list"
},
"donorAtomCount": {
"@id": "chemaxon:donorAtomCount",
"@type": "xsd:integer"
},
"donorSiteCount": {
"@id": "chemaxon:donorSiteCount",
"@type": "xsd:integer"
},
"donorSiteCountsByAtomIndex": {
"@id": "chemaxon:donorSiteCountsByAtomIndex",
"@container": "@list"
},
"HLBResult": "chemaxon:HLBResult",
"cxnHlbValue": {
"@id": "chemaxon:cxnHlbValue",
"@type": "xsd:decimal"
},
"daviesHlbValue": {
"@id": "chemaxon:daviesHlbValue",
"@type": "xsd:decimal"
},
"griffinHlbValue": {
"@id": "chemaxon:griffinHlbValue",
"@type": "xsd:decimal"
},
"requiredHLBValue": {
"@id": "chemaxon:requiredHLBValue",
"@type": "xsd:decimal"
},
"HergActivityResult": "chemaxon:HergActivityResult",
"mostSimilars": {
"@id": "chemaxon:mostSimilars",
"@container": "@list"
},
"pActError": {
"@id": "chemaxon:pActError",
"@type": "xsd:decimal"
},
"HergClassResult": "chemaxon:HergClassResult",
"hergClassError": {
"@id": "chemaxon:hergClassError",
"@container": "@list"
},
"probabilities": {
"@id": "chemaxon:probabilities",
"@container": "@list"
},
"IsoelectricPointRequest": "chemaxon:IsoelectricPointRequest",
"IsoelectricPointResult": "chemaxon:IsoelectricPointResult",
"chargeDistribution": {
"@id": "chemaxon:chargeDistribution",
"@container": "@list"
},
"isoelectricPoint": {
"@id": "chemaxon:isoelectricPoint",
"@type": "xsd:decimal"
},
"LogDEntry": "chemaxon:LogDEntry",
"details": {
"@id": "chemaxon:details",
"@container": "@list"
},
"LogDRequest": "chemaxon:LogDRequest",
"LogDResult": "chemaxon:LogDResult",
"logDByPh": {
"@id": "chemaxon:logDByPh",
"@container": "@list"
},
"LogDValueDetails": "chemaxon:LogDValueDetails",
"coefficient": {
"@id": "chemaxon:coefficient",
"@type": "xsd:decimal"
},
"microspecies": {
"@id": "chemaxon:microspecies",
"@type": "xsd:string"
},
"percentage": {
"@id": "chemaxon:percentage",
"@type": "xsd:decimal"
},
"LogPRequest": "chemaxon:LogPRequest",
"LogPResult": "chemaxon:LogPResult",
"logP": {
"@id": "chemaxon:logP",
"@type": "xsd:decimal"
},
"logPByAtom": {
"@id": "chemaxon:logPByAtom",
"@container": "@list"
},
"MajorMicrospeciesRequest": "chemaxon:MajorMicrospeciesRequest",
"MajorMicrospeciesResult": "chemaxon:MajorMicrospeciesResult",
"Multiplet": "chemaxon:Multiplet",
"atomIndexes": {
"@id": "chemaxon:atomIndexes",
"@container": "@list"
},
"couplingConstants": {
"@id": "chemaxon:couplingConstants",
"@container": "@list"
},
"couplingNeeded": {
"@id": "chemaxon:couplingNeeded",
"@type": "xsd:boolean"
},
"domainMax": {
"@id": "chemaxon:domainMax",
"@type": "xsd:decimal"
},
"domainMin": {
"@id": "chemaxon:domainMin",
"@type": "xsd:decimal"
},
"intensity": {
"@id": "chemaxon:intensity",
"@type": "xsd:decimal"
},
"multiplicity": {
"@id": "chemaxon:multiplicity",
"@type": "xsd:string"
},
"shift": {
"@id": "chemaxon:shift",
"@type": "xsd:decimal"
},
"shiftErrorClassification": {
"@id": "chemaxon:shiftErrorClassification",
"@type": "xsd:string"
},
"NmrRequest": "chemaxon:NmrRequest",
"NmrResult": "chemaxon:NmrResult",
"atomReferences": {
"@id": "chemaxon:atomReferences",
"@container": "@list"
},
"multiplets": {
"@id": "chemaxon:multiplets",
"@container": "@list"
},
"xy": {
"@id": "chemaxon:xy",
"@container": "@list"
},
"OptionalResultBBBResult": "chemaxon:OptionalResultBBBResult",
"error": {
"@id": "chemaxon:error",
"@type": "@id"
},
"OptionalResultCanonicalTautomerResult": "chemaxon:OptionalResultCanonicalTautomerResult",
"OptionalResultChargeResult": "chemaxon:OptionalResultChargeResult",
"OptionalResultCnsMpoResult": "chemaxon:OptionalResultCnsMpoResult",
"OptionalResultDominantTautomerResult": "chemaxon:OptionalResultDominantTautomerResult",
"OptionalResultElementalAnalysisResult": "chemaxon:OptionalResultElementalAnalysisResult",
"OptionalResultHBDAResult": "chemaxon:OptionalResultHBDAResult",
"OptionalResultHLBResult": "chemaxon:OptionalResultHLBResult",
"OptionalResultIsoelectricPointResult": "chemaxon:OptionalResultIsoelectricPointResult",
"OptionalResultListConformerResult": "chemaxon:OptionalResultListConformerResult",
"OptionalResultLogDResult": "chemaxon:OptionalResultLogDResult",
"OptionalResultLogPResult": "chemaxon:OptionalResultLogPResult",
"OptionalResultMajorMicrospeciesResult": "chemaxon:OptionalResultMajorMicrospeciesResult",
"OptionalResultNmrResult": "chemaxon:OptionalResultNmrResult",
"OptionalResultPkaDistributionResult": "chemaxon:OptionalResultPkaDistributionResult",
"structureDistributionsByPh": {
"@id": "chemaxon:structureDistributionsByPh",
"@container": "@list"
},
"OptionalResultPkaResult": "chemaxon:OptionalResultPkaResult",
"acidicValuesByAtom": {
"@id": "chemaxon:acidicValuesByAtom",
"@container": "@list"
},
"basicValuesByAtom": {
"@id": "chemaxon:basicValuesByAtom",
"@container": "@list"
},
"maxBasicValue": {
"@id": "chemaxon:maxBasicValue",
"@type": "xsd:decimal"
},
"minAcidicValue": {
"@id": "chemaxon:minAcidicValue",
"@type": "xsd:decimal"
},
"pkaValuesByAtom": {
"@id": "chemaxon:pkaValuesByAtom",
"@container": "@list"
},
"OptionalResultPolarSurfaceAreaResult": "chemaxon:OptionalResultPolarSurfaceAreaResult",
"polarSurfaceArea": {
"@id": "chemaxon:polarSurfaceArea",
"@type": "xsd:decimal"
},
"OptionalResultSolubilityResult": "chemaxon:OptionalResultSolubilityResult",
"intrinsicSolubility": {
"@id": "chemaxon:intrinsicSolubility",
"@type": "xsd:decimal"
},
"phDependentSolubilities": {
"@id": "chemaxon:phDependentSolubilities",
"@container": "@list"
},
"OptionalResultStereoisomerResult": "chemaxon:OptionalResultStereoisomerResult",
"molecules": {
"@id": "chemaxon:molecules",
"@container": "@list"
},
"OptionalResultTopologyAnalyserResult": "chemaxon:OptionalResultTopologyAnalyserResult",
"aliphaticAtomCount": {
"@id": "chemaxon:aliphaticAtomCount",
"@type": "xsd:integer"
},
"aliphaticBondCount": {
"@id": "chemaxon:aliphaticBondCount",
"@type": "xsd:integer"
},
"aliphaticRingCount": {
"@id": "chemaxon:aliphaticRingCount",
"@type": "xsd:integer"
},
"aliphaticRings": {
"@id": "chemaxon:aliphaticRings",
"@container": "@list"
},
"aromaticAtomCount": {
"@id": "chemaxon:aromaticAtomCount",
"@type": "xsd:integer"
},
"aromaticBondCount": {
"@id": "chemaxon:aromaticBondCount",
"@type": "xsd:integer"
},
"aromaticRingCount": {
"@id": "chemaxon:aromaticRingCount",
"@type": "xsd:integer"
},
"aromaticRings": {
"@id": "chemaxon:aromaticRings",
"@container": "@list"
},
"asymmmetricAtoms": {
"@id": "chemaxon:asymmmetricAtoms",
"@container": "@list"
},
"balabanIndex": {
"@id": "chemaxon:balabanIndex",
"@type": "xsd:decimal"
},
"bondCount": {
"@id": "chemaxon:bondCount",
"@type": "xsd:integer"
},
"carboAliphaticRingCount": {
"@id": "chemaxon:carboAliphaticRingCount",
"@type": "xsd:integer"
},
"carboAromaticRingCount": {
"@id": "chemaxon:carboAromaticRingCount",
"@type": "xsd:integer"
},
"carboRingCount": {
"@id": "chemaxon:carboRingCount",
"@type": "xsd:integer"
},
"carboRings": {
"@id": "chemaxon:carboRings",
"@container": "@list"
},
"chainAtomCount": {
"@id": "chemaxon:chainAtomCount",
"@type": "xsd:integer"
},
"chainBondCount": {
"@id": "chemaxon:chainBondCount",
"@type": "xsd:integer"
},
"chiralCenterCount": {
"@id": "chemaxon:chiralCenterCount",
"@type": "xsd:integer"
},
"chiralCenters": {
"@id": "chemaxon:chiralCenters",
"@container": "@list"
},
"coloredLargestConjugatedSystem": {
"@id": "chemaxon:coloredLargestConjugatedSystem",
"@type": "xsd:string"
},
"cyclomaticNumber": {
"@id": "chemaxon:cyclomaticNumber",
"@type": "xsd:integer"
},
"distanceDegree": {
"@id": "chemaxon:distanceDegree",
"@container": "@list"
},
"eccentricity": {
"@id": "chemaxon:eccentricity",
"@container": "@list"
},
"fragmentCount": {
"@id": "chemaxon:fragmentCount",
"@type": "xsd:integer"
},
"fsp3": {
"@id": "chemaxon:fsp3",
"@type": "xsd:decimal"
},
"fusedAliphaticRingCount": {
"@id": "chemaxon:fusedAliphaticRingCount",
"@type": "xsd:integer"
},
"fusedAliphaticRings": {
"@id": "chemaxon:fusedAliphaticRings",
"@container": "@list"
},
"fusedAromaticRingCount": {
"@id": "chemaxon:fusedAromaticRingCount",
"@type": "xsd:integer"
},
"fusedAromaticRings": {
"@id": "chemaxon:fusedAromaticRings",
"@container": "@list"
},
"fusedRingCount": {
"@id": "chemaxon:fusedRingCount",
"@type": "xsd:integer"
},
"hararyIndex": {
"@id": "chemaxon:hararyIndex",
"@type": "xsd:decimal"
},
"heteroAliphaticRingCount": {
"@id": "chemaxon:heteroAliphaticRingCount",
"@type": "xsd:integer"
},
"heteroAliphaticRings": {
"@id": "chemaxon:heteroAliphaticRings",
"@container": "@list"
},
"heteroAromaticRingCount": {
"@id": "chemaxon:heteroAromaticRingCount",
"@type": "xsd:integer"
},
"heteroAromaticRings": {
"@id": "chemaxon:heteroAromaticRings",
"@container": "@list"
},
"heteroRingCount": {
"@id": "chemaxon:heteroRingCount",
"@type": "xsd:integer"
},
"heteroRings": {
"@id": "chemaxon:heteroRings",
"@container": "@list"
},
"hyperWienerIndex": {
"@id": "chemaxon:hyperWienerIndex",
"@type": "xsd:integer"
},
"isConnectedGraph": {
"@id": "chemaxon:isConnectedGraph",
"@type": "xsd:boolean"
},
"largestConjugatedSystem": {
"@id": "chemaxon:largestConjugatedSystem",
"@container": "@list"
},
"largestConjugatedSystemSize": {
"@id": "chemaxon:largestConjugatedSystemSize",
"@type": "xsd:integer"
},
"largestRing": {
"@id": "chemaxon:largestRing",
"@container": "@list"
},
"largestRingSize": {
"@id": "chemaxon:largestRingSize",
"@type": "xsd:integer"
},
"largestRingSizeOfAtom": {
"@id": "chemaxon:largestRingSizeOfAtom",
"@container": "@list"
},
"largestRingSystem": {
"@id": "chemaxon:largestRingSystem",
"@container": "@list"
},
"largestRingSystemSize": {
"@id": "chemaxon:largestRingSystemSize",
"@type": "xsd:integer"
},
"plattIndex": {
"@id": "chemaxon:plattIndex",
"@type": "xsd:integer"
},
"possibleCTBondCount": {
"@id": "chemaxon:possibleCTBondCount",
"@type": "xsd:integer"
},
"possibleCTBonds": {
"@id": "chemaxon:possibleCTBonds",
"@container": "@list"
},
"randicIndex": {
"@id": "chemaxon:randicIndex",
"@type": "xsd:decimal"
},
"ringAtomCount": {
"@id": "chemaxon:ringAtomCount",
"@type": "xsd:integer"
},
"ringBondCount": {
"@id": "chemaxon:ringBondCount",
"@type": "xsd:integer"
},
"ringCount": {
"@id": "chemaxon:ringCount",
"@type": "xsd:integer"
},
"ringCountOfAtom": {
"@id": "chemaxon:ringCountOfAtom",
"@container": "@list"
},
"ringSystemCount": {
"@id": "chemaxon:ringSystemCount",
"@type": "xsd:integer"
},
"ringSystems": {
"@id": "chemaxon:ringSystems",
"@container": "@list"
},
"rings": {
"@id": "chemaxon:rings",
"@container": "@list"
},
"rotatableBondCount": {
"@id": "chemaxon:rotatableBondCount",
"@type": "xsd:integer"
},
"smallestRing": {
"@id": "chemaxon:smallestRing",
"@container": "@list"
},
"smallestRingSize": {
"@id": "chemaxon:smallestRingSize",
"@type": "xsd:integer"
},
"smallestRingSizeOfAtom": {
"@id": "chemaxon:smallestRingSizeOfAtom",
"@container": "@list"
},
"smallestRingSystem": {
"@id": "chemaxon:smallestRingSystem",
"@container": "@list"
},
"smallestRingSystemSize": {
"@id": "chemaxon:smallestRingSystemSize",
"@type": "xsd:integer"
},
"stereoDoubleBondCount": {
"@id": "chemaxon:stereoDoubleBondCount",
"@type": "xsd:integer"
},
"stericEffect": {
"@id": "chemaxon:stericEffect",
"@container": "@list"
},
"szegedIndex": {
"@id": "chemaxon:szegedIndex",
"@type": "xsd:integer"
},
"wienerIndex": {
"@id": "chemaxon:wienerIndex",
"@type": "xsd:integer"
},
"wienerPolarity": {
"@id": "chemaxon:wienerPolarity",
"@type": "xsd:integer"
},
"PartialElementalAnalysisResult": "chemaxon:PartialElementalAnalysisResult",
"atomCount": {
"@id": "chemaxon:atomCount",
"@type": "xsd:integer"
},
"radical": {
"@id": "chemaxon:radical",
"@type": "xsd:integer"
},
"PhDoubleEntry": "chemaxon:PhDoubleEntry",
"PhSequence": "chemaxon:PhSequence",
"pHLower": {
"@id": "chemaxon:pHLower",
"@type": "xsd:decimal"
},
"pHUpper": {
"@id": "chemaxon:pHUpper",
"@type": "xsd:decimal"
},
"PkaDistributionRequest": "chemaxon:PkaDistributionRequest",
"PkaDistributionResult": "chemaxon:PkaDistributionResult",
"PkaRequest": "chemaxon:PkaRequest",
"PkaResult": "chemaxon:PkaResult",
"PolarSurfaceAreaRequest": "chemaxon:PolarSurfaceAreaRequest",
"PolarSurfaceAreaResult": "chemaxon:PolarSurfaceAreaResult",
"Property": "chemaxon:Property",
"SolubilityRequest": "chemaxon:SolubilityRequest",
"SolubilityResult": "chemaxon:SolubilityResult",
"StereoisomerRequest": "chemaxon:StereoisomerRequest",
"StereoisomerResult": "chemaxon:StereoisomerResult",
"StructureDistributionByPh": "chemaxon:StructureDistributionByPh",
"percentages": {
"@id": "chemaxon:percentages",
"@container": "@list"
},
"TopologyAnalyserRequest": "chemaxon:TopologyAnalyserRequest",
"TopologyAnalyserResult": "chemaxon:TopologyAnalyserResult",
"AdditionalData": "chemaxon:AdditionalData",
"AdditionalDataChange": "chemaxon:AdditionalDataChange",
"errorMessage": {
"@id": "chemaxon:errorMessage",
"@type": "xsd:string"
},
"AdditionalDataUpdateRequest": "chemaxon:AdditionalDataUpdateRequest",
"id": {
"@id": "chemaxon:id",
"@type": "xsd:string"
},
"idType": {
"@id": "chemaxon:idType",
"@type": "xsd:string"
},
"additionalData": {
"@id": "chemaxon:additionalData",
"@container": "@list"
},
"AdvancedAutoRegisterRequest": "chemaxon:AdvancedAutoRegisterRequest",
"source": {
"@id": "chemaxon:source",
"@type": "xsd:string"
},
"lotId": {
"@id": "chemaxon:lotId",
"@type": "xsd:integer"
},
"lnbRef": {
"@id": "chemaxon:lnbRef",
"@type": "xsd:string"
},
"alternativ
# --- truncated at 32 KB (35 KB total) ---
# Full source: https://artifacts.apis.io/chemaxon/json-ld/chemaxon-context.jsonld