Babaev2024 - CYP2C9 variants Lab

{
  "io": {
    "inputs": [
      {
        "name": "initial_drug_metabolite_e3174",
        "units": "native SBML value",
        "default": 0,
        "maps_to": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model.initial_drug_metabolite_e3174",
        "description": "Initial condition for drug metabolite e3174. Maps to bundled SBML symbol `E3174_out`. Applied before the Tellurium simulation starts; this does not change kinetic parameters or equations. Default from bundled SBML initial value."
      },
      {
        "name": "initial_drug_metabolite_e3174_2",
        "units": "native SBML value",
        "default": 0,
        "maps_to": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model.initial_drug_metabolite_e3174_2",
        "description": "Initial condition for drug metabolite e3174 2. Maps to bundled SBML symbol `E3174_cc`. Applied before the Tellurium simulation starts; this does not change kinetic parameters or equations. Default from bundled SBML initial value."
      },
      {
        "name": "initial_drug_metabolism_state_3",
        "units": "native SBML value",
        "default": 0,
        "maps_to": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model.initial_drug_metabolism_state_3",
        "description": "Initial condition for drug metabolism state 3. Maps to bundled SBML symbol `losartan_cc`. Applied before the Tellurium simulation starts; this does not change kinetic parameters or equations. Default from bundled SBML initial value."
      },
      {
        "name": "initial_drug_metabolism_state_4",
        "units": "native SBML value",
        "default": 0,
        "maps_to": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model.initial_drug_metabolism_state_4",
        "description": "Initial condition for drug metabolism state 4. Maps to bundled SBML symbol `losartan_int`. Applied before the Tellurium simulation starts; this does not change kinetic parameters or equations. Default from bundled SBML initial value."
      },
      {
        "name": "initial_drug_metabolism_state_5_extracellular",
        "units": "native SBML value",
        "default": 0,
        "maps_to": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model.initial_drug_metabolism_state_5_extracellular",
        "description": "Initial condition for drug metabolism state 5 extracellular. Maps to bundled SBML symbol `losartan_out`. Applied before the Tellurium simulation starts; this does not change kinetic parameters or equations. Default from bundled SBML initial value."
      }
    ],
    "outputs": [
      {
        "name": "drug_metabolite_e3174",
        "maps_to": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model.drug_metabolite_e3174"
      },
      {
        "name": "drug_metabolite_e3174_2",
        "maps_to": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model.drug_metabolite_e3174_2"
      },
      {
        "name": "drug_metabolism_state_3",
        "maps_to": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model.drug_metabolism_state_3"
      },
      {
        "name": "drug_metabolism_state_4",
        "maps_to": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model.drug_metabolism_state_4"
      },
      {
        "name": "drug_metabolism_state_5_extracellular",
        "maps_to": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model.drug_metabolism_state_5_extracellular"
      },
      {
        "name": "observable_values",
        "maps_to": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model.observable_values"
      },
      {
        "name": "run_summary",
        "maps_to": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model.run_summary"
      },
      {
        "name": "observable_labels",
        "maps_to": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model.observable_labels"
      }
    ]
  },
  "title": "Babaev2024 - CYP2C9 variants Lab",
  "models": [
    {
      "path": "models/core",
      "alias": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model",
      "parameters": {
        "model_path": "data/MODEL2412180002.xml",
        "integration_step": 0.1
      }
    },
    {
      "path": "models/visualisation",
      "alias": "visualisation"
    }
  ],
  "wiring": [
    {
      "to": [
        "visualisation.metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model_observable_values"
      ],
      "from": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model.observable_values"
    },
    {
      "to": [
        "visualisation.metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model_run_summary"
      ],
      "from": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model.run_summary"
    },
    {
      "to": [
        "visualisation.metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model_observable_labels"
      ],
      "from": "metabolism_sbml_babaev2024_cyp2c9_variants_model2412180002_model.observable_labels"
    }
  ],
  "package": "babaev2024-cyp2c9-variants",
  "runtime": {
    "duration": 10,
    "initial_inputs": {},
    "communication_step": 1
  },
  "version": "1.0.0",
  "description": "Modified model of losartan metabolism (Karatza and Karalis, 2020) incorporating different allelic variants of CYP2C9. It can be used to explore metabolic flux dynamics and compare pathway behavior across conditions.",
  "schema_version": "2.0"
}