Annotated OpenAPI Query Test

openapi: 3.0.0 x-orn-@id: 'https://lazar.prod.openrisknet.org' x-orn-@type: 'x-orn:Service' x-orn-@context: '@vocab': 'http://openrisknet.org/schema#' x-orn: 'http://openrisknet.org/schema#' x-orn-@id: '@id' x-orn-@type: '@type' servers: - url: 'https://lazar.prod.openrisknet.org/' info: description: |- REST API webservice for lazar. *lazar* (lazy structure–activity relationships) is a modular framework for predictive toxicology. version: 1.4.0 title: Lazar REST Service contact: name: in silico toxicology gmbh email: info@in-silico.ch url: 'https://in-silico.ch' license: name: GNU GENERAL PUBLIC LICENSE url: 'https://github.com/opentox/lazar-rest/blob/master/LICENSE' externalDocs: description: | See also documentation url: 'https://github.com/OpenRiskNet/home/blob/master/openshift/deployments/lazar/README.md' paths: /api/api.json: get: tags: - api description: Get swagger api in JSON responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '500': $ref: '#/components/responses/500' /compound/descriptor: get: x-orn-@type: 'x-orn:Descriptor' 'x-orn:path': 'https://lazar.prod.openrisknet.org/compound/descriptor' 'x-orn:method': Get 'x-orn:returns': Openbabel.HBA1: Number of Hydrogen Bond Acceptors 1 (JoelLib) Openbabel.HBA2: Number of Hydrogen Bond Acceptors 2 (JoelLib) Openbabel.HBD: Number of Hydrogen Bond Donors (JoelLib) Openbabel.MP: Melting point Openbabel.MR: molar refractivity Openbabel.MW: Molecular Weight filter Openbabel.TPSA: topological polar surface area Openbabel.abonds: Number of aromatic bonds Openbabel.atoms: Number of atoms Openbabel.bonds: Number of bonds Openbabel.dbonds: Number of double bonds Openbabel.logP: octanol/water partition coefficient Openbabel.nF: Number of Fluorine Atoms Openbabel.rotors: Rotatable bonds filter Openbabel.sbonds: Number of single bonds Openbabel.tbonds: Number of triple bonds Cdk.SmallRing.nSmallRings: 'An enumeration of all the small rings (sizes 3 to 9) in a molecule, which can be obtained quickly and deterministically.' Cdk.SmallRing.nAromRings: 'An enumeration of all the small rings (sizes 3 to 9) in a molecule, which can be obtained quickly and deterministically.' Cdk.SmallRing.nRingBlocks: 'An enumeration of all the small rings (sizes 3 to 9) in a molecule, which can be obtained quickly and deterministically.' Cdk.SmallRing.nAromBlocks: 'An enumeration of all the small rings (sizes 3 to 9) in a molecule, which can be obtained quickly and deterministically.' Cdk.SmallRing.nRings3: 'An enumeration of all the small rings (sizes 3 to 9) in a molecule, which can be obtained quickly and deterministically.' Cdk.SmallRing.nRings4: 'An enumeration of all the small rings (sizes 3 to 9) in a molecule, which can be obtained quickly and deterministically.' Cdk.SmallRing.nRings5: 'An enumeration of all the small rings (sizes 3 to 9) in a molecule, which can be obtained quickly and deterministically.' Cdk.SmallRing.nRings6: 'An enumeration of all the small rings (sizes 3 to 9) in a molecule, which can be obtained quickly and deterministically.' Cdk.SmallRing.nRings7: 'An enumeration of all the small rings (sizes 3 to 9) in a molecule, which can be obtained quickly and deterministically.' Cdk.SmallRing.nRings8: 'An enumeration of all the small rings (sizes 3 to 9) in a molecule, which can be obtained quickly and deterministically.' Cdk.SmallRing.nRings9: 'An enumeration of all the small rings (sizes 3 to 9) in a molecule, which can be obtained quickly and deterministically.' Cdk.FractionalPSA.tpsaEfficiency: 'Polar surface area expressed as a ratio to molecular size. Calculates tpsaEfficiency, which is to TPSADescriptor/ molecular weight, in units of square Angstroms per Dalton.' Cdk.ZagrebIndex.Zagreb: The sum of the squared atom degrees of all heavy atoms. Cdk.XLogP.XLogP: Prediction of logP based on the atom-type method called XLogP. Cdk.WienerNumbers.WPATH: This class calculates Wiener path number and Wiener polarity number. Cdk.WienerNumbers.WPOL: This class calculates Wiener path number and Wiener polarity number. Cdk.WHIM.Wlambda1.unity: Holistic descriptors described by Todeschini et al . Cdk.WHIM.Wlambda2.unity: Holistic descriptors described by Todeschini et al . Cdk.WHIM.Wlambda3.unity: Holistic descriptors described by Todeschini et al . Cdk.WHIM.Wnu1.unity: Holistic descriptors described by Todeschini et al . Cdk.WHIM.Wnu2.unity: Holistic descriptors described by Todeschini et al . Cdk.WHIM.Wgamma1.unity: Holistic descriptors described by Todeschini et al . Cdk.WHIM.Wgamma2.unity: Holistic descriptors described by Todeschini et al . Cdk.WHIM.Wgamma3.unity: Holistic descriptors described by Todeschini et al . Cdk.WHIM.Weta1.unity: Holistic descriptors described by Todeschini et al . Cdk.WHIM.Weta2.unity: Holistic descriptors described by Todeschini et al . Cdk.WHIM.Weta3.unity: Holistic descriptors described by Todeschini et al . Cdk.WHIM.WT.unity: Holistic descriptors described by Todeschini et al . Cdk.WHIM.WA.unity: Holistic descriptors described by Todeschini et al . Cdk.WHIM.WV.unity: Holistic descriptors described by Todeschini et al . Cdk.WHIM.WK.unity: Holistic descriptors described by Todeschini et al . Cdk.WHIM.WG.unity: Holistic descriptors described by Todeschini et al . Cdk.WHIM.WD.unity: Holistic descriptors described by Todeschini et al . Cdk.WeightedPath.WTPT-1: The weighted path (molecular ID) descriptors described by Randic. They characterize molecular branching. Cdk.WeightedPath.WTPT-2: The weighted path (molecular ID) descriptors described by Randic. They characterize molecular branching. Cdk.WeightedPath.WTPT-3: The weighted path (molecular ID) descriptors described by Randic. They characterize molecular branching. Cdk.WeightedPath.WTPT-4: The weighted path (molecular ID) descriptors described by Randic. They characterize molecular branching. Cdk.WeightedPath.WTPT-5: The weighted path (molecular ID) descriptors described by Randic. They characterize molecular branching. Cdk.Weight.MW: 'Descriptor based on the weight of atoms of a certain element type. If no element is specified, the returned value is the Molecular Weight' Cdk.VAdjMa.VAdjMat: Descriptor that calculates the vertex adjacency information of a molecule. Cdk.VABC.VABC: Describes the volume of a molecule. Cdk.TPSA.TopoPSA: Calculation of topological polar surface area based on fragment contributions . Cdk.RuleOfFive.LipinskiFailures: This Class contains a method that returns the number failures of the Lipinski's Rule Of Five. Cdk.RotatableBondsCount.nRotB: Descriptor that calculates the number of nonrotatable bonds on a molecule. Cdk.PetitjeanShapeIndex.topoShape: The topological and geometric shape indices described Petitjean and Bath et al. respectively. Both measure the anisotropy in a molecule. Cdk.PetitjeanShapeIndex.geomShape: The topological and geometric shape indices described Petitjean and Bath et al. respectively. Both measure the anisotropy in a molecule. Cdk.PetitjeanNumber.PetitjeanNumber: Descriptor that calculates the Petitjean Number of a molecule. Cdk.MomentOfInertia.MOMI-X: Descriptor that calculates the principal moments of inertia and ratios of the principal moments. Als calculates the radius of gyration. Cdk.MomentOfInertia.MOMI-Y: Descriptor that calculates the principal moments of inertia and ratios of the principal moments. Als calculates the radius of gyration. Cdk.MomentOfInertia.MOMI-Z: Descriptor that calculates the principal moments of inertia and ratios of the principal moments. Als calculates the radius of gyration. Cdk.MomentOfInertia.MOMI-XY: Descriptor that calculates the principal moments of inertia and ratios of the principal moments. Als calculates the radius of gyration. Cdk.MomentOfInertia.MOMI-XZ: Descriptor that calculates the principal moments of inertia and ratios of the principal moments. Als calculates the radius of gyration. Cdk.MomentOfInertia.MOMI-YZ: Descriptor that calculates the principal moments of inertia and ratios of the principal moments. Als calculates the radius of gyration. Cdk.MomentOfInertia.MOMI-R: Descriptor that calculates the principal moments of inertia and ratios of the principal moments. Als calculates the radius of gyration. Cdk.MDE.MDEC-11: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEC-12: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEC-13: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEC-14: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEC-22: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEC-23: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEC-24: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEC-33: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEC-34: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEC-44: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEO-11: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEO-12: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEO-22: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEN-11: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEN-12: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEN-13: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEN-22: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEN-23: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MDE.MDEN-33: 'Evaluate molecular distance edge descriptors for C, N and O' Cdk.MannholdLogP.MLogP: Descriptor that calculates the LogP based on a simple equation using the number of carbons and hetero atoms . Cdk.LongestAliphaticChain.nAtomLAC: Returns the number of atoms in the longest aliphatic chain Cdk.LengthOverBreadth.LOBMAX: Calculates the ratio of length to breadth. Cdk.LengthOverBreadth.LOBMIN: Calculates the ratio of length to breadth. Cdk.LargestPiSystem.nAtomP: Returns the number of atoms in the largest pi chain Cdk.LargestChain.nAtomLC: Returns the number of atoms in the largest chain Cdk.KierHallSmarts.khs.sLi: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssBe: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssssBe: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssBH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sssB: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssssB: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sCH3: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.dCH2: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssCH2: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.tCH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.dsCH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.aaCH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sssCH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ddC: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.tsC: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.dssC: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.aasC: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.aaaC: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssssC: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sNH3: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sNH2: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssNH2: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.dNH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssNH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.aaNH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.tN: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sssNH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.dsN: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.aaN: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sssN: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ddsN: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.aasN: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssssN: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sOH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.dO: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssO: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.aaO: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sF: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sSiH3: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssSiH2: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sssSiH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssssSi: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sPH2: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssPH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sssP: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.dsssP: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sssssP: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sSH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.dS: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssS: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.aaS: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.dssS: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ddssS: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sCl: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sGeH3: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssGeH2: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sssGeH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssssGe: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sAsH2: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssAsH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sssAs: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sssdAs: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sssssAs: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sSeH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.dSe: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssSe: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.aaSe: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.dssSe: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ddssSe: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sBr: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sSnH3: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssSnH2: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sssSnH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssssSn: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sI: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sPbH3: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssPbH2: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.sssPbH: Counts the number of occurrences of the E-state fragments Cdk.KierHallSmarts.khs.ssssPb: Counts the number of occurrences of the E-state fragments Cdk.KappaShapeIndices.Kier1: Descriptor that calculates Kier and Hall kappa molecular shape indices. Cdk.KappaShapeIndices.Kier2: Descriptor that calculates Kier and Hall kappa molecular shape indices. Cdk.KappaShapeIndices.Kier3: Descriptor that calculates Kier and Hall kappa molecular shape indices. Cdk.HybridizationRatio.HybRatio: Characterizes molecular complexity in terms of carbon hybridization states. Cdk.HBondDonorCount.nHBDon: Descriptor that calculates the number of hydrogen bond donors. Cdk.HBondAcceptorCount.nHBAcc: Descriptor that calculates the number of hydrogen bond acceptors. Cdk.GravitationalIndex.GRAV-1: Descriptor characterizing the mass distribution of the molecule. Cdk.GravitationalIndex.GRAV-2: Descriptor characterizing the mass distribution of the molecule. Cdk.GravitationalIndex.GRAV-3: Descriptor characterizing the mass distribution of the molecule. Cdk.GravitationalIndex.GRAVH-1: Descriptor characterizing the mass distribution of the molecule. Cdk.GravitationalIndex.GRAVH-2: Descriptor characterizing the mass distribution of the molecule. Cdk.GravitationalIndex.GRAVH-3: Descriptor characterizing the mass distribution of the molecule. Cdk.GravitationalIndex.GRAV-4: Descriptor characterizing the mass distribution of the molecule. Cdk.GravitationalIndex.GRAV-5: Descriptor characterizing the mass distribution of the molecule. Cdk.GravitationalIndex.GRAV-6: Descriptor characterizing the mass distribution of the molecule. Cdk.FragmentComplexity.fragC: 'Class that returns the complexity of a system. The complexity is defined as @cdk.cite{Nilakantan06}' Cdk.FMF.FMF: Descriptor characterizing molecular complexity in terms of its Murcko framework Cdk.EccentricConnectivityIndex.ECCEN: A topological descriptor combining distance and adjacency information. Cdk.CPSA.PPSA-1: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.PPSA-2: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.PPSA-3: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.PNSA-1: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.PNSA-2: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.PNSA-3: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.DPSA-1: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.DPSA-2: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.DPSA-3: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.FPSA-1: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.FPSA-2: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.FPSA-3: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.FNSA-1: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.FNSA-2: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.FNSA-3: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.WPSA-1: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.WPSA-2: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.WPSA-3: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.WNSA-1: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.WNSA-2: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.WNSA-3: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.RPCG: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.RNCG: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.RPCS: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.RNCS: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.THSA: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.TPSA: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.RHSA: A variety of descriptors combining surface area and partial charge information Cdk.CPSA.RPSA: A variety of descriptors combining surface area and partial charge information Cdk.ChiPath.SP-0: 'Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7' Cdk.ChiPath.SP-1: 'Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7' Cdk.ChiPath.SP-2: 'Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7' Cdk.ChiPath.SP-3: 'Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7' Cdk.ChiPath.SP-4: 'Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7' Cdk.ChiPath.SP-5: 'Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7' Cdk.ChiPath.SP-6: 'Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7' Cdk.ChiPath.SP-7: 'Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7' Cdk.ChiPath.VP-0: 'Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7' Cdk.ChiPath.VP-1: 'Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7' Cdk.ChiPath.VP-2: 'Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7' Cdk.ChiPath.VP-3: 'Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7' Cdk.ChiPath.VP-4: 'Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7' Cdk.ChiPath.VP-5: 'Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7' Cdk.ChiPath.VP-6: 'Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7' Cdk.ChiPath.VP-7: 'Evaluates the Kier & Hall Chi path indices of orders 0,1,2,3,4,5,6 and 7' Cdk.ChiPathCluster.SPC-4: 'Evaluates the Kier & Hall Chi path cluster indices of orders 4,5 and 6' Cdk.ChiPathCluster.SPC-5: 'Evaluates the Kier & Hall Chi path cluster indices of orders 4,5 and 6' Cdk.ChiPathCluster.SPC-6: 'Evaluates the Kier & Hall Chi path cluster indices of orders 4,5 and 6' Cdk.ChiPathCluster.VPC-4: 'Evaluates the Kier & Hall Chi path cluster indices of orders 4,5 and 6' Cdk.ChiPathCluster.VPC-5: 'Evaluates the Kier & Hall Chi path cluster indices of orders 4,5 and 6' Cdk.ChiPathCluster.VPC-6: 'Evaluates the Kier & Hall Chi path cluster indices of orders 4,5 and 6' Cdk.ChiCluster.SC-3: 'Evaluates the Kier & Hall Chi cluster indices of orders 3,4,5,6 and 7' Cdk.ChiCluster.SC-4: 'Evaluates the Kier & Hall Chi cluster indices of orders 3,4,5,6 and 7' Cdk.ChiCluster.SC-5: 'Evaluates the Kier & Hall Chi cluster indices of orders 3,4,5,6 and 7' Cdk.ChiCluster.SC-6: 'Evaluates the Kier & Hall Chi cluster indices of orders 3,4,5,6 and 7' Cdk.ChiCluster.VC-3: 'Evaluates the Kier & Hall Chi cluster indices of orders 3,4,5,6 and 7' Cdk.ChiCluster.VC-4: 'Evaluates the Kier & Hall Chi cluster indices of orders 3,4,5,6 and 7' Cdk.ChiCluster.VC-5: 'Evaluates the Kier & Hall Chi cluster indices of orders 3,4,5,6 and 7' Cdk.ChiCluster.VC-6: 'Evaluates the Kier & Hall Chi cluster indices of orders 3,4,5,6 and 7' Cdk.ChiChain.SCH-3: 'Evaluates the Kier & Hall Chi chain indices of orders 3,4,5 and 6' Cdk.ChiChain.SCH-4: 'Evaluates the Kier & Hall Chi chain indices of orders 3,4,5 and 6' Cdk.ChiChain.SCH-5: 'Evaluates the Kier & Hall Chi chain indices of orders 3,4,5 and 6' Cdk.ChiChain.SCH-6: 'Evaluates the Kier & Hall Chi chain indices of orders 3,4,5 and 6' Cdk.ChiChain.SCH-7: 'Evaluates the Kier & Hall Chi chain indices of orders 3,4,5 and 6' Cdk.ChiChain.VCH-3: 'Evaluates the Kier & Hall Chi chain indices of orders 3,4,5 and 6' Cdk.ChiChain.VCH-4: 'Evaluates the Kier & Hall Chi chain indices of orders 3,4,5 and 6' Cdk.ChiChain.VCH-5: 'Evaluates the Kier & Hall Chi chain indices of orders 3,4,5 and 6' Cdk.ChiChain.VCH-6: 'Evaluates the Kier & Hall Chi chain indices of orders 3,4,5 and 6' Cdk.ChiChain.VCH-7: 'Evaluates the Kier & Hall Chi chain indices of orders 3,4,5 and 6' Cdk.CarbonTypes.C1SP1: Characterizes the carbon connectivity in terms of hybridization Cdk.CarbonTypes.C2SP1: Characterizes the carbon connectivity in terms of hybridization Cdk.CarbonTypes.C1SP2: Characterizes the carbon connectivity in terms of hybridization Cdk.CarbonTypes.C2SP2: Characterizes the carbon connectivity in terms of hybridization Cdk.CarbonTypes.C3SP2: Characterizes the carbon connectivity in terms of hybridization Cdk.CarbonTypes.C1SP3: Characterizes the carbon connectivity in terms of hybridization Cdk.CarbonTypes.C2SP3: Characterizes the carbon connectivity in terms of hybridization Cdk.CarbonTypes.C3SP3: Characterizes the carbon connectivity in terms of hybridization Cdk.CarbonTypes.C4SP3: Characterizes the carbon connectivity in terms of hybridization Cdk.BPol.bpol: Descriptor that calculates the sum of the absolute value of the difference between atomic polarizabilities of all bonded atoms in the molecule (including implicit hydrogens). Cdk.BondCount.nB: Descriptor based on the number of bonds of a certain bond order. Cdk.BCUT.BCUTw-1l: Eigenvalue based descriptor noted for its utility in chemical diversity described by Pearlman et al. . Cdk.BCUT.BCUTw-1h: Eigenvalue based descriptor noted for its utility in chemical diversity described by Pearlman et al. . Cdk.BCUT.BCUTc-1l: Eigenvalue based descriptor noted for its utility in chemical diversity described by Pearlman et al. . Cdk.BCUT.BCUTc-1h: Eigenvalue based descriptor noted for its utility in chemical diversity described by Pearlman et al. . Cdk.BCUT.BCUTp-1l: Eigenvalue based descriptor noted for its utility in chemical diversity described by Pearlman et al. . Cdk.BCUT.BCUTp-1h: Eigenvalue based descriptor noted for its utility in chemical diversity described by Pearlman et al. . Cdk.BasicGroupCount.nBase: Returns the number of basic groups. Cdk.AutocorrelationPolarizability.ATSp1: The Moreau-Broto autocorrelation descriptors using polarizability Cdk.AutocorrelationPolarizability.ATSp2: The Moreau-Broto autocorrelation descriptors using polarizability Cdk.AutocorrelationPolarizability.ATSp3: The Moreau-Broto autocorrelation descriptors using polarizability Cdk.AutocorrelationPolarizability.ATSp4: The Moreau-Broto autocorrelation descriptors using polarizability Cdk.AutocorrelationPolarizability.ATSp5: The Moreau-Broto autocorrelation descriptors using polarizability Cdk.AutocorrelationMass.ATSm1: The Moreau-Broto autocorrelation descriptors using atomic weight Cdk.AutocorrelationMass.ATSm2: The Moreau-Broto autocorrelation descriptors using atomic weight Cdk.AutocorrelationMass.ATSm3: The Moreau-Broto autocorrelation descriptors using atomic weight Cdk.AutocorrelationMass.ATSm4: The Moreau-Broto autocorrelation descriptors using atomic weight Cdk.AutocorrelationMass.ATSm5: The Moreau-Broto autocorrelation descriptors using atomic weight Cdk.AutocorrelationCharge.ATSc1: The Moreau-Broto autocorrelation descriptors using partial charges Cdk.AutocorrelationCharge.ATSc2: The Moreau-Broto autocorrelation descriptors using partial charges Cdk.AutocorrelationCharge.ATSc3: The Moreau-Broto autocorrelation descriptors using partial charges Cdk.AutocorrelationCharge.ATSc4: The Moreau-Broto autocorrelation descriptors using partial charges Cdk.AutocorrelationCharge.ATSc5: The Moreau-Broto autocorrelation descriptors using partial charges Cdk.AtomCount.nAtom: Descriptor based on the number of atoms of a certain element type. Cdk.AromaticBondsCount.nAromBond: Descriptor based on the number of aromatic bonds of a molecule. Cdk.AromaticAtomsCount.naAromAtom: Descriptor based on the number of aromatic atoms of a molecule. Cdk.APol.apol: Descriptor that calculates the sum of the atomic polarizabilities (including implicit hydrogens). Cdk.ALOGP.ALogP: Calculates atom additive logP and molar refractivity values as described by Ghose and Crippen and Cdk.ALOGP.ALogp2: Calculates atom additive logP and molar refractivity values as described by Ghose and Crippen and Cdk.ALOGP.AMR: Calculates atom additive logP and molar refractivity values as described by Ghose and Crippen and Cdk.AcidicGroupCount.nAcid: Returns the number of acidic groups. Joelib.FractionRotatableBonds: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.GeometricalDiameter: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.GeometricalRadius: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.GeometricalShapeCoefficient: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.GraphShapeCoefficient: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.KierShape1: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.KierShape2: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.KierShape3: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.LogP: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.MolarRefractivity: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.MolecularWeight: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.PolarSurfaceArea: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.RotatableBonds: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.TopologicalDiameter: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.TopologicalRadius: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.ZagrebIndex1: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.AcidicGroups: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.AliphaticOHGroups: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.AromaticBonds: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.AromaticOHGroups: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.BasicGroups: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.HBA1: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.HBA2: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.HBD1: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.HBD2: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.HeavyBonds: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.HeteroCycles: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.HydrophobicGroups: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.NO2Groups: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.NumberOfAtoms: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.NumberOfB: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.NumberOfBonds: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.NumberOfBr: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.NumberOfC: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.NumberOfCl: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.NumberOfF: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.NumberOfHal: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.NumberOfI: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.NumberOfN: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.NumberOfO: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.NumberOfP: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.NumberOfS: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.OSOGroups: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.SO2Groups: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' Joelib.count.SOGroups: 'JOELIb does not provide meaningful descriptions, see java/JoelibDescriptors.java for details.' tags: - compound - descriptor description: Get a list of all descriptors parameters: - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' post: x-orn-@type: 'x-orn:Prediction' 'x-orn:path': 'https://lazar.prod.openrisknet.org/compound/descriptor' 'x-orn:method': Post tags: - compound - descriptor summary: Descriptor calculation description: Calculate descriptors for a single compound as SMILES string parameters: - $ref: '#/components/parameters/subjectid' responses: '202': $ref: '#/components/responses/202' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' requestBody: description: identifier and descriptor/s required: true content: application/x-www-form-urlencoded: 'x-orn:schema': application/x-www-form-urlencoded schema: $ref: '#/components/schemas/postdescriptor' '/compound/descriptor/{descriptor}': get: x-orn-@type: 'x-orn:Descriptor' 'x-orn:path': 'https://lazar.prod.openrisknet.org/compound/descriptor/{descriptor}' 'x-orn:method': Get tags: - compound - descriptor description: Get informations about a single descriptor parameters: - name: descriptor in: path description: descriptor name or ID required: true schema: type: string - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' '/compound/{InChI}': get: x-orn-@type: 'x-orn:Compound' 'x-orn:path': 'https://lazar.prod.openrisknet.org/compound/{InChI}' 'x-orn:method': Get tags: - compound description: Get compound representation parameters: - $ref: '#/components/parameters/inchi' - $ref: '#/components/parameters/subjectid' responses: '200': description: OK content: application/json: 'x-orn:returns': application/json schema: 'x-orn:property': InChI type: string example: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H chemical/x-daylight-smiles: 'x-orn:returns': chemical/x-daylight-smiles schema: 'x-orn:property': InChI type: string example: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H chemical/x-inchi: 'x-orn:returns': chemical/x-inchi schema: 'x-orn:property': InChI type: string example: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H chemical/x-mdl-sdfile: 'x-orn:returns': chemical/x-mdl-sdfile schema: 'x-orn:property': InChI type: string example: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H image/png: 'x-orn:returns': image/png schema: 'x-orn:property': InChI type: string example: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H image/svg+xml: 'x-orn:returns': image/svg+xml schema: 'x-orn:property': InChI type: string example: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H text/plain: 'x-orn:returns': text/plain schema: 'x-orn:property': InChI type: string example: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H '400': $ref: '#/components/responses/400' '500': $ref: '#/components/responses/500' /dataset: get: x-orn-@type: 'x-orn:Dataset' 'x-orn:path': 'https://lazar.prod.openrisknet.org/dataset' 'x-orn:method': Get tags: - dataset description: Get a list of all datasets parameters: - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' '/dataset/{id}': get: x-orn-@type: 'x-orn:Dataset' 'x-orn:path': 'https://lazar.prod.openrisknet.org/dataset/{id}' 'x-orn:method': Get tags: - dataset description: Get dataset representation parameters: - $ref: '#/components/parameters/id' - $ref: '#/components/parameters/subjectid' responses: '200': description: OK content: text/csv: 'x-orn:returns': text/csv application/csv: 'x-orn:returns': text/csv '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '403': $ref: '#/components/responses/403' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' '/dataset/{id}/{attribute}': get: x-orn-@type: 'x-orn:Dataset' 'x-orn:path': 'https://lazar.prod.openrisknet.org/dataset/{id}/{attribute}' 'x-orn:method': Get tags: - dataset description: Get dataset representation parameters: - name: attribute in: path description: requested attribute required: true schema: type: string enum: - compounds - substances - features - $ref: '#/components/parameters/id' - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '403': $ref: '#/components/responses/403' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' /endpoint: get: x-orn-@type: 'x-orn:Endpoint' 'x-orn:path': 'https://lazar.prod.openrisknet.org/endpoint' 'x-orn:method': Get tags: - endpoint description: Get a list of all available endpoints parameters: - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' '/endpoint/{endpoint}': get: x-orn-@type: 'x-orn:Endpoint' 'x-orn:path': 'https://lazar.prod.openrisknet.org/endpoint' 'x-orn:method': Get tags: - endpoint description: Get a list of all available models for an endpoint parameters: - $ref: '#/components/parameters/endpoint' - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' /feature: get: x-orn-@type: 'x-orn:Feature' 'x-orn:path': 'https://lazar.prod.openrisknet.org/feature' 'x-orn:method': Get tags: - feature description: Get a list of ids for all features parameters: - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' '/feature/{id}': get: x-orn-@type: 'x-orn:Feature' 'x-orn:path': 'https://lazar.prod.openrisknet.org/feature/{id}' 'x-orn:method': Get tags: - feature description: Get feature representation parameters: - $ref: '#/components/parameters/id' - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '403': $ref: '#/components/responses/403' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' /model: get: x-orn-@type: 'x-orn:Model' 'x-orn:path': 'https://lazar.prod.openrisknet.org/model' 'x-orn:method': Get tags: - model description: Get a list of all prediction models parameters: - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' '/model/{id}': get: x-orn-@type: 'x-orn:Model' 'x-orn:path': 'https://lazar.prod.openrisknet.org/model' 'x-orn:method': Get tags: - model description: Get model representation parameters: - $ref: '#/components/parameters/id' - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '403': $ref: '#/components/responses/403' '404': $ref: '#/components/responses/404' post: x-orn-@type: 'x-orn:Prediction' 'x-orn:path': 'https://lazar.prod.openrisknet.org/model/{id}' 'x-orn:method': Post tags: - model description: Predict a compound. parameters: - $ref: '#/components/parameters/id' - $ref: '#/components/parameters/subjectid' responses: '202': $ref: '#/components/responses/202' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '403': $ref: '#/components/responses/403' '404': $ref: '#/components/responses/404' requestBody: description: | SMILES identifier. required: true content: application/x-www-form-urlencoded: 'x-orn:schema': application/x-www-form-urlencoded schema: $ref: '#/components/schemas/postmodel' /report: get: x-orn-@type: 'x-orn:Report' 'x-orn:path': 'https://lazar.prod.openrisknet.org/report' 'x-orn:method': Get tags: - report description: Get a list of QMRF reports parameters: - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' '/report/{id}': get: x-orn-@type: 'x-orn:Report' 'x-orn:path': 'https://lazar.prod.openrisknet.org/report/{id}' 'x-orn:method': Get tags: - report description: Get QMRF for prediction model parameters: - $ref: '#/components/parameters/id' - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '403': $ref: '#/components/responses/403' '404': $ref: '#/components/responses/404' /substance: get: x-orn-@type: 'x-orn:Substance' 'x-orn:path': 'https://lazar.prod.openrisknet.org/substance' 'x-orn:method': Get tags: - substance description: Get a list of all substances parameters: - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' '/substance/{id}': get: x-orn-@type: 'x-orn:Substance' 'x-orn:path': 'https://lazar.prod.openrisknet.org/substance/{id}' 'x-orn:method': Get tags: - substance description: Get substance representation by ID parameters: - $ref: '#/components/parameters/id' - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '403': $ref: '#/components/responses/403' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' /validation: get: x-orn-@type: 'x-orn:Validation' 'x-orn:path': 'https://lazar.prod.openrisknet.org/validation' 'x-orn:method': Get tags: - validation description: Get a list of all validation types parameters: - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' '/validation/{validationtype}': get: x-orn-@type: 'x-orn:Validation' 'x-orn:path': 'https://lazar.prod.openrisknet.org/validation/{validationtype}' 'x-orn:method': Get tags: - validation description: Get all validations of a validation type parameters: - $ref: '#/components/parameters/valtype' - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '403': $ref: '#/components/responses/403' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' '/validation/{validationtype}/{id}': get: x-orn-@type: 'x-orn:Validation' 'x-orn:path': 'https://lazar.prod.openrisknet.org/validation/{validationtype}/{id}' 'x-orn:method': Get tags: - validation description: Get validation representation parameters: - $ref: '#/components/parameters/valtype' - $ref: '#/components/parameters/id' - $ref: '#/components/parameters/subjectid' responses: '200': $ref: '#/components/responses/200' '400': $ref: '#/components/responses/400' '401': $ref: '#/components/responses/401' '403': $ref: '#/components/responses/403' '404': $ref: '#/components/responses/404' '500': $ref: '#/components/responses/500' tags: - name: api description: Swagger API representation in JSON - name: compound description: Compound - name: dataset description: Dataset - name: descriptor description: Descriptor - name: endpoint description: Endpoint - name: feature description: Feature - name: model description: Lazar Model Service - name: report description: QMRF Reporting - name: substance description: Substance - name: validation description: Validation components: schemas: postmodel: type: object properties: identifier: 'x-orn:property': identifier type: string example: O=C1NC(=O)NC=C1 postdescriptor: type: object properties: identifier: 'x-orn:property': identifier type: string example: O=C1NC(=O)NC=C1 descriptor: 'x-orn:property': descriptor type: string example: 'Openbabel.MW,Openbabel.atoms' parameters: id: name: id in: path description: id required: true schema: type: string endpoint: name: endpoint in: path description: type required: true schema: type: string inchi: name: InChI in: path description: InChI String required: true schema: type: stringi smiles: name: SMILES in: path description: SMILES string required: true schema: type: string valtype: name: validationtype in: path description: validation type required: true schema: type: string enum: - crossvalidation - leaveoneout - repeatedcrossvalidation - regressioncrossvalidation subjectid: in: header name: subjectid description: authorization token required: false schema: type: string responses: '200': description: OK content: application/json: 'x-orn:returns': application/json schema: type: object '201': description: Created content: application/json: 'x-orn:returns': application/json schema: type: object '202': description: Accepted content: application/json: 'x-orn:returns': application/json schema: type: object text/plain: 'x-orn:returns': text/uri-list schema: type: object '400': description: Bad Request '401': description: Unauthorized '403': description: Forbidden '404': description: Resource Not Found '500': description: Server Error

{"@context": { "@vocab": "http://openrisknet.org/schema#", "x-orn": "http://openrisknet.org/schema#", "x-orn-@id": "@id", "x-orn-@type":"@type", "smiles": "http://semanticscience.org/resource/CHEMINF_000018", "inchi": "http://semanticscience.org/resource/CHEMINF_000113", "inchikey": "http://semanticscience.org/resource/CHEMINF_000059", "cas": "http://semanticscience.org/resource/CHEMINF_000446" } }