Annotated OpenAPI definition
The OpenAPI 3/Swagger 2 definition
If you start with your own Openapi/Swagger definition, you will want to add x-orn-@id or x-orn-@type information at different places to enrich the generated RDF data model
Syntax highlighting mode:
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