PREFIX ontoreaction: <https://www.theworldavatar.com/kg/ontoreaction/>
PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX xsd: <http://www.w3.org/2001/XMLSchema#>

<http://www.ontology-of-units-of-measure.org/resource/om-2/AmountOfSubstanceFraction> a rdfs:Class .

<http://www.w3.org/2006/time#Instant> a rdfs:Class .

ontoreaction:Yield a rdfs:Class ;
  rdfs:comment "Ratio expressing the efficiency of a mass conversion process. [doi:10.1351/goldbook.Y06724]" ;
  rdfs:subClassOf ontoreaction:PerformanceIndicator , <http://www.ontology-of-units-of-measure.org/resource/om-2/AmountOfSubstanceFraction> .

ontoreaction:yieldLimitingSpecies a rdf:Property ;
  rdfs:comment "A relation between yield or conversion of a reaction experiment and the yield limiting species based on which the performance indicator was computed. " ;
  rdfs:range <http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl#Species> .

ontoreaction:InputChemical a rdfs:Class ;
  rdfs:comment "An input chemical is a type of chemical used as the feed to a reaction experiment. " ;
  rdfs:subClassOf ontoreaction:Chemical .

ontoreaction:hasExpectedAcidity a rdf:Property ;
  rdfs:comment "A relation between a chemical and its expected acidity." ;
  rdfs:domain ontoreaction:Chemical ;
  rdfs:range <http://www.ontology-of-units-of-measure.org/resource/om-2/Acidity> .

ontoreaction:hasAcidity a rdf:Property ;
  rdfs:comment "A relation between a chemical and its acidity." ;
  rdfs:domain ontoreaction:Chemical ;
  rdfs:range <http://www.ontology-of-units-of-measure.org/resource/om-2/Acidity> .

ontoreaction:hasInventoryNumber a rdf:Property ;
  rdfs:domain ontoreaction:Chemical ;
  rdfs:range xsd:string .

<http://www.ontology-of-units-of-measure.org/resource/om-2/MassFraction> a rdfs:Class .

ontoreaction:ReactionScale a rdfs:Class ;
  rdfs:comment "Reaction scale indicates the volume used of the reference input chemical. " ;
  rdfs:subClassOf ontoreaction:ReactionCondition , <http://www.ontology-of-units-of-measure.org/resource/om-2/Volume> .

ontoreaction:indicatesUsageOf a rdf:Property ;
  rdfs:comment "A relation indicates the reaction scale in form of usage of an input chemical. " ;
  rdfs:domain ontoreaction:ReactionScale ;
  rdfs:range ontoreaction:InputChemical .

ontoreaction:OutputChemical a rdfs:Class ;
  rdfs:comment "An output chemical is a type of chemical collected as outcome from a reaction experiment. " ;
  rdfs:subClassOf ontoreaction:Chemical .

<http://www.ontology-of-units-of-measure.org/resource/om-2/VolumeFraction> a rdfs:Class .

<https://www.theworldavatar.com/kg/ontovapourtec/VapourtecR4Reactor> a rdfs:Class .

ontoreaction:RunMaterialCost a rdfs:Class ;
  rdfs:comment "The total cost of input chemical during one reaction experiment, normally scaled by the volumetric amount of input chemicals. " ;
  rdfs:subClassOf ontoreaction:PerformanceIndicator , <http://www.ontology-of-units-of-measure.org/resource/om-2/SpecificAmountOfMoney> .

<http://www.ontology-of-units-of-measure.org/resource/om-2/Quantity> a rdfs:Class .

ontoreaction:Chemical a rdfs:Class ;
  rdfs:comment "A chemical is a type of OntoCAPE:Material used as the conceptual representation of chemicals used involved in a reaction experiment. " ;
  rdfs:subClassOf <http://www.theworldavatar.com/ontology/ontocape/material/material.owl#Material> .

ontoreaction:ReactionPressure a rdfs:Class ;
  rdfs:comment "The pressure at which a reaction experiment is conducted. " ;
  rdfs:subClassOf ontoreaction:ReactionCondition , <http://www.ontology-of-units-of-measure.org/resource/om-2/Pressure> .

ontoreaction:PerformanceIndicator a rdfs:Class ;
  rdfs:comment "A quantity that is calculated from the measured analytical data of output chemical of a reaction experiment. It is used as objectives of a reaction optimisation problem. " .

ontoreaction:ReactionTemperature a rdfs:Class ;
  rdfs:comment "The temperature at which a reaction experiment is conducted. " ;
  rdfs:subClassOf ontoreaction:ReactionCondition , <http://www.ontology-of-units-of-measure.org/resource/om-2/CelsiusTemperature> .

<http://www.ontology-of-units-of-measure.org/resource/om-2/Volume> a rdfs:Class .

<http://www.ontology-of-units-of-measure.org/resource/om-2/Duration> a rdfs:Class .

<http://www.ontology-of-units-of-measure.org/resource/om-2/QuantityOfDimensionOne> a rdfs:Class .

ontoreaction:SpaceTimeYield a rdfs:Class ;
  rdfs:comment "Space-time yield is a measure of reactor productivity calculated from mass of (desired/target) product formed, devided by the the reactor volume, and residence time. [doi:10.1002/cmtd.202000044]" ;
  rdfs:subClassOf ontoreaction:PerformanceIndicator , <http://www.ontology-of-units-of-measure.org/resource/om-2/Quantity> .

<http://www.ontology-of-units-of-measure.org/resource/om-2/SpecificAmountOfMoney> a rdfs:Class .

ontoreaction:StoichiometryRatio a rdfs:Class ;
  rdfs:comment "The ratio between an input chemical and the reference input chemical which is quantified by a reaction scale. " ;
  rdfs:subClassOf ontoreaction:ReactionCondition , <http://www.ontology-of-units-of-measure.org/resource/om-2/VolumeFraction> .

ontoreaction:indicatesMultiplicityOf a rdf:Property ;
  rdfs:comment "A relation indicates the multiplicity of the input chemical participating in a reaction experiment. " ;
  rdfs:domain ontoreaction:StoichiometryRatio ;
  rdfs:range ontoreaction:InputChemical .

<http://www.theworldavatar.com/ontology/ontocape/material/material.owl#Material> a rdfs:Class .

ontoreaction:EcoScore a rdfs:Class ;
  rdfs:subClassOf ontoreaction:PerformanceIndicator , <http://www.ontology-of-units-of-measure.org/resource/om-2/QuantityOfDimensionOne> .

ontoreaction:ResidenceTime a rdfs:Class ;
  rdfs:comment "The time required for air or reagent parcel to pass from the entrance to the exit of an instrument. Often this is approximated as the ratio of the interior volume of the device to the flow rate. [doi:10.1351/goldbook.R05309]" ;
  rdfs:subClassOf ontoreaction:ReactionCondition , <http://www.ontology-of-units-of-measure.org/resource/om-2/Duration> .

<http://www.ontology-of-units-of-measure.org/resource/om-2/CelsiusTemperature> a rdfs:Class .

ontoreaction:Impurity a rdfs:Class ;
  rdfs:comment "The product that is not the desired outcome of a reaction experiment. " ;
  rdfs:subClassOf <http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#Product> .

ontoreaction:Base a rdfs:Class ;
  rdfs:comment "A chemical species or molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (proton) (see Bronsted base) or with the vacant orbital of some other species (see Lewis base). [doi:10.1351/goldbook.B00601]" ;
  rdfs:subClassOf <http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#Species> .

ontoreaction:EnvironmentalFactor a rdfs:Class ;
  rdfs:comment "The environmental factor (E-factor) of a reaction experiment is the ratio of the mass of waste (impurity) to mass of (desired/target) product. [doi:10.1039/B713736M]" ;
  rdfs:subClassOf ontoreaction:PerformanceIndicator , <http://www.ontology-of-units-of-measure.org/resource/om-2/MassFraction> .

ontoreaction:Conversion a rdfs:Class ;
  rdfs:comment "The conversion indicates, which portion of the originally used starting material has been converted into other chemical substances by a chemical reaction. [UDM https://github.com/PistoiaAlliance/UDM/blob/master/Docs/Glossary.md]" ;
  rdfs:subClassOf ontoreaction:PerformanceIndicator , <http://www.ontology-of-units-of-measure.org/resource/om-2/AmountOfSubstanceFraction> .

ontoreaction:RunMaterialCostPerKilogramProduct a rdfs:Class ;
  rdfs:comment "The total cost of input chemical during one reaction experiment, scaled by per kilogram of product produced." ;
  rdfs:subClassOf ontoreaction:PerformanceIndicator , <http://www.ontology-of-units-of-measure.org/resource/om-2/SpecificAmountOfMoney> .

ontoreaction:Catalyst a rdfs:Class ;
  rdfs:comment "A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction. [doi:10.1351/goldbook.C00876]" ;
  rdfs:subClassOf <http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#Species> .

ontoreaction:ChemicalReaction a rdfs:Class ;
  rdfs:comment "A ChemicalReaction converts some ChemicalSpecies (or MolecularEntities) into some other ChemicalSpecies (or MolecularEntities). [OntoCAPE]" ;
  rdfs:subClassOf <http://www.theworldavatar.com/ontology/ontocape/material/substance/reaction_mechanism.owl#ChemicalReaction> .

ontoreaction:rxnCXSMILES a rdf:Property ;
  rdfs:domain ontoreaction:ChemicalReaction ;
  rdfs:range xsd:string .

ontoreaction:ordID a rdf:Property ;
  rdfs:domain ontoreaction:ChemicalReaction ;
  rdfs:range xsd:string .

ontoreaction:hasRDFILE a rdf:Property ;
  rdfs:domain ontoreaction:ChemicalReaction ;
  rdfs:range xsd:string .

ontoreaction:rxnSMILES a rdf:Property ;
  rdfs:domain ontoreaction:ChemicalReaction ;
  rdfs:range xsd:string .

ontoreaction:hasBase a rdf:Property ;
  rdfs:comment "The relation hasBase denotes the bases of a ChemicalReaction." ;
  rdfs:domain ontoreaction:ChemicalReaction ;
  rdfs:range ontoreaction:Base .

ontoreaction:hasRInChI a rdf:Property ;
  rdfs:domain ontoreaction:ChemicalReaction ;
  rdfs:range xsd:string .

ontoreaction:cdXML a rdf:Property ;
  rdfs:domain ontoreaction:ChemicalReaction ;
  rdfs:range xsd:string .

ontoreaction:hasRxnType a rdf:Property ;
  rdfs:comment "A relation between a ChemicalReaction and a named reaction class it belongs to. " ;
  rdfs:domain ontoreaction:ChemicalReaction ;
  rdfs:range <http://purl.obolibrary.org/obo/MOP_0000543> .

ontoreaction:hasCatalyst a rdf:Property ;
  rdfs:comment "The relation hasCatalyst denotes the catalysts of a ChemicalReaction. A catalyst is a MolecularEntity or a ChemicalSpecies that is used to accelerate a ChemicalReaction." ;
  rdfs:domain ontoreaction:ChemicalReaction ;
  rdfs:range ontoreaction:Catalyst ;
  rdfs:subPropertyOf <http://www.theworldavatar.com/ontology/ontocape/material/substance/reaction_mechanism.owl#hasCatalyst> .

ontoreaction:hasSolvent a rdf:Property ;
  rdfs:comment "The relation hasSolvent denotes the solvents of a ChemicalReaction. A solvent is a MolecularEntity or a ChemicalSpecies that is used to host a ChemicalReaction." ;
  rdfs:domain ontoreaction:ChemicalReaction ;
  rdfs:range ontoreaction:Solvent .

ontoreaction:ReactionVariation a rdfs:Class ;
  rdfs:comment "A reaction variation is defined as the same chemical reaction performed at a different set of reaction conditions compared to its original conditions. " ;
  rdfs:subClassOf ontoreaction:ReactionExperiment .

ontoreaction:hasInputChemical a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its input chemicals. " ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:InputChemical .

ontoreaction:isOccurenceOf a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and the chemical reaction it represents. " ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:ChemicalReaction .

ontoreaction:hasRxnTemperature a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its reaction temperature condition. " ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:ReactionTemperature ;
  rdfs:subPropertyOf ontoreaction:hasReactionCondition .

ontoreaction:hasOutputChemical a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its output chemicals. " ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:OutputChemical .

ontoreaction:isAssignedTo a rdf:Property ;
  rdfs:comment "A relation indicates the vapourtec R4 reactor where a reaction experiment happened. " ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range <https://www.theworldavatar.com/kg/ontovapourtec/VapourtecR4Reactor> .

ontoreaction:hasStoichiometryRatio a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and the stoichiometry ratio it applies to each input chemical. " ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:StoichiometryRatio ;
  rdfs:subPropertyOf ontoreaction:hasReactionCondition .

ontoreaction:hasReactionCondition a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and all its reaction conditions." ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:ReactionCondition .

ontoreaction:isOperatedBy a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its operator (An employee or student of an organization)." ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range xsd:string .

ontoreaction:hasPerformanceIndicator a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and the performance indicator calculated from the measured analytical data of its output chemical. " ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:PerformanceIndicator .

ontoreaction:hasSpaceTimeYield a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its space time yield performance indicator." ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:SpaceTimeYield ;
  rdfs:subPropertyOf ontoreaction:hasPerformanceIndicator .

ontoreaction:hasEcoScore a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its eco score performance indicator." ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:EcoScore ;
  rdfs:subPropertyOf ontoreaction:hasPerformanceIndicator .

ontoreaction:hasEndTime a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its end time." ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range <http://www.w3.org/2006/time#Instant> .

ontoreaction:hasOperatorNotes a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its notes written by the operator." ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:OperatorNotes .

ontoreaction:hasConversion a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its conversion performance indicator." ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:Conversion ;
  rdfs:subPropertyOf ontoreaction:hasPerformanceIndicator .

ontoreaction:hasRxnScale a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its reaction scale specified to an input chemical. " ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:ReactionScale ;
  rdfs:subPropertyOf ontoreaction:hasReactionCondition .

ontoreaction:isVariationOf a rdf:Property ;
  rdfs:comment "A relation links a variation to its parent reaction experiment. " ;
  rdfs:domain ontoreaction:ReactionVariation ;
  rdfs:range ontoreaction:ReactionExperiment .

ontoreaction:hasRxnPressure a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its reaction pressure condition. " ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:ReactionPressure ;
  rdfs:subPropertyOf ontoreaction:hasReactionCondition .

ontoreaction:hasStartTime a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its start time." ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range <http://www.w3.org/2006/time#Instant> .

ontoreaction:hasRunMaterialCost a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its run material cost performance indicator." ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:RunMaterialCost ;
  rdfs:subPropertyOf ontoreaction:hasPerformanceIndicator .

ontoreaction:hasRunMaterialCostPerKilogramProduct a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its run material cost per kilogram of product produced performance indicator." ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:RunMaterialCostPerKilogramProduct ;
  rdfs:subPropertyOf ontoreaction:hasPerformanceIndicator .

ontoreaction:hasResTime a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its residence time condition. " ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:ResidenceTime ;
  rdfs:subPropertyOf ontoreaction:hasReactionCondition .

ontoreaction:hasEnvironmentalFactor a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its environmental factor performance indicator." ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:EnvironmentalFactor ;
  rdfs:subPropertyOf ontoreaction:hasPerformanceIndicator .

ontoreaction:hasYield a rdf:Property ;
  rdfs:comment "A relation between a reaction experiment and its yield performance indicator." ;
  rdfs:domain ontoreaction:ReactionExperiment ;
  rdfs:range ontoreaction:Yield ;
  rdfs:subPropertyOf ontoreaction:hasPerformanceIndicator .

<http://www.theworldavatar.com/ontology/ontocape/material/substance/reaction_mechanism.owl#ChemicalReaction> a rdfs:Class .

<http://purl.obolibrary.org/obo/MOP_0000543> a rdfs:Class .

ontoreaction:Solvent a rdfs:Class ;
  rdfs:comment "A solvent is the substance used to solve the chemical components of the chemical reaction process. " ;
  rdfs:subClassOf <http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#Species> .

ontoreaction:ReactionExperiment a rdfs:Class ;
  rdfs:comment "A reaction experiment is a concrete realisation of a chemical reaction at a set of reaction conditions. " .

ontoreaction:ReactionCondition a rdfs:Class ;
  rdfs:comment "A quantity that is used to specify the condition at which the reaction is to be conducted. It can be used as the optimisation variable in a reaction development process." .

<https://spec.edmcouncil.org/fibo/ontology/FND/Organizations/FormalOrganizations/Employee> a rdfs:Class .

<http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#Product> a rdfs:Class .

ontoreaction:OperatorNotes a rdfs:Class ;
  rdfs:comment "Notes written by an operator regarding a reaction experiment." .

ontoreaction:TargetProduct a rdfs:Class ;
  rdfs:comment "The product that is the desired outcome of a reaction experiment. " ;
  rdfs:subClassOf <http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#Product> .

<http://www.theworldavatar.com/ontology/ontokin/OntoKin.owl#Species> a rdfs:Class .

<http://www.ontology-of-units-of-measure.org/resource/om-2/Pressure> a rdfs:Class .

<http://www.theworldavatar.com/ontology/ontospecies/OntoSpecies.owl#Species> a rdfs:Class .

<https://www.theworldavatar.com/kg/ontoprofile/Student> a rdfs:Class .

<https://w3id.org/linkml/Any> a rdfs:Class ;
  rdfs:comment "An unconstrained type or object" .

<http://www.ontology-of-units-of-measure.org/resource/om-2/Acidity> a rdfs:Class .

<http://www.theworldavatar.com/ontology/ontocape/material/substance/reaction_mechanism.owl#hasCatalyst> a rdf:Property ;
  rdfs:range <https://w3id.org/linkml/Any> .