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Adding version with parameters separated layout

Andrej 2 years ago
parent
commit
2e82b3541e
2 changed files with 338 additions and 120 deletions
  1. 86 54
      models/cCotinine.json
  2. 252 66
      pythonScripts/compartmentModel.ipynb

+ 86 - 54
models/cCotinine.json

@@ -2,75 +2,107 @@
    "compartments":["adipose","brain","heart","kidney","liver",
    "splanchnic","stomach","muscle","skin","testes","remainder","lung",
    "excrement","arterial","venous","source"],
+   "commentParameters":"every parameter must have a value, name is optional and used in SE computation",
    "volumes":{
-      "unit":"g",
-      "adipose":10,
-      "brain":1.2,
-      "heart":1,
-      "kidney":2,
-      "liver":11,
-      "lung":1.2,
-      "muscle":125,
-      "skin":43.8,
-      "splanchnic":15,
-      "stomach":1.1,
-      "testes":2.5,
-      "remainder":15.8,
-      "venous":13.6,
-      "arterial":6.8},
-   "flowNotes":"liver:arterial is sum of liver,splanchnic and stomach",
-   "flowNotes1":"liver:arterial=3.55+20.25+1.9",
+      "adipose":"adiposeVolume",
+      "brain":"brainVolume",
+      "heart":"heartVolume",
+      "kidney":"kidneyVolume",
+      "liver":"liverVolume",
+      "lung":"lungVolume",
+      "muscle":"muscleVolume",
+      "skin":"skinVolume",
+      "splanchnic":"splanchnicVolume",
+      "stomach":"stomachVolume",
+      "testes":"testesVolume",
+      "remainder":"remainderVolume",
+      "venous":"venousVolume",
+      "arterial":"arterialVolume"},
    "flows":{
-      "unit":"ml/min",
-      "(arterial,venous):adipose":2.55,
-      "(arterial,venous):brain":0.78,
-      "(arterial,venous):heart":4.2,
-      "(arterial,venous):kidney":16.61,
-      "arterial:liver":3.55,
-      "liver:venous":25.7,
-      "(arterial,venous):lung":80,
-      "(arterial,venous):muscle":16.25,
-      "(arterial,venous):skin":7.1,
-      "(arterial,liver):splanchnic":20.25,
-      "(arterial,liver):stomach":1.9,
-      "(arterial,venous):testes":1.9,
-      "(arterial,venous):remainder":4.91,
-      "arterial":80,
-      "venous":80},
+      "(arterial,venous):adipose":"adiposeFlow",
+      "(arterial,venous):brain":"brainFlow",
+      "(arterial,venous):heart":"heartFlow",
+      "(arterial,venous):kidney":"kidneyFlow",
+      "arterial:liver":"liverInFlow",
+      "liver:venous":"liverOutFlow",
+      "(arterial,venous):lung":"totalFlow",
+      "(arterial,venous):muscle":"muscleFlow",
+      "(arterial,venous):skin":"skinFlow",
+      "(arterial,liver):splanchnic":"splanchnicFlow",
+      "(arterial,liver):stomach":"stomachFlow",
+      "(arterial,venous):testes":"testesFlow",
+      "(arterial,venous):remainder":"remainderFlow"},
    "commentSources":"constants in concentration units per s",
    "sources":{
       "arterial":{"name":"exponential","k":-0.005,"constant":0},
       "venous":{"name":"Heavyside","limit":30,"value":1.22e3}},
    "commentBindings":"split to flow and diffusion dominated",
    "bindings": {
-      "flowComments":"group common sources or targets with braces",
+      "flowComments":"group common sources or targets with brackets",
       "flow":[
          "(adipose,brain,heart,kidney,liver,muscle,skin,testes,remainder)->venous",
          "(splanchnic,stomach)->liver",
          "arterial->(adipose,brain,heart,kidney,liver,muscle,skin,testes,remainder,splanchnic,stomach)",
          "venous->lung",
          "lung->arterial"],
-      "diffusionComments":"source->target strength per s",
-      "liverToExcrementNotes":"CL=422ml/min,PC=9.1,f=0.15,V=11g->k=0.105/s",
-      "sourceToArterialNotes":"ka=0.001/s in paper",
-      "comment:source->venous":0.005,
       "diffusion":{
-         "liver->excrement":0.0105}},
+         "liver->excrement":"k1"}},
     "pcComments":"always related to outflow of organs", 
     "partitionCoefficients":{
-       "adipose":0.04,
-       "brain":0.27,
-       "heart":0.28,
-       "kidney":0.72,
-       "liver":0.39,
-       "lung":0.3,
-       "muscle":0.29,
-       "remainder":0.18,
-       "skin":0.18,
-       "splanchnic":0.31,
-       "stomach":0.18,
-       "testes":0.18},
-     "sensitivityCalculation":{
-        "parameters":["partitionCoefficients"]
-     }
+       "adipose":"adiposePC",
+       "brain":"brainPC",
+       "heart":"heartPC",
+       "kidney":"kidneyPC",
+       "liver":"liverPC",
+       "lung":"lungPC",
+       "muscle":"musclePC",
+       "remainder":"remainderPC",
+       "skin":"remainderPC",
+       "splanchnic":"splanchnicPC",
+       "stomach":"stomachPC",
+       "testes":"testesPC"},
+     "parameters":{
+        "adiposePC":{"value":0.06,"range":[0.05,0.07]},
+	     "brainPC":{"value":0.27},
+	     "heartPC":{"value":0.28},
+        "kidneyPC":{"value":0.72},
+	     "liverPC":{"value":0.39},
+	     "lungPC":{"value":0.3},
+	     "musclePC":{"value":0.29},
+        "remainderPC":{"value":0.18},
+	     "splanchnicPC":{"value":0.31},
+	     "stomachPC":{"value":0.18},
+	     "testesPC":{"value":0.18},
+        "flowNotes":"liverOutFlow is sum of liver,splanchnic and stomach",
+        "flowNotes1":"liverOutFlow=3.55+20.25+1.9",
+        "adiposeFlow":{"value":2.55,"unit":"ml/min"},
+        "brainFlow":{"value":0.78,"unit":"ml/min"},
+        "heartFlow":{"value":4.2,"unit":"ml/min"},
+        "kidneyFlow":{"value":16.61,"unit":"ml/min"},
+        "liverInFlow":{"value":3.55,"unit":"ml/min"},
+        "liverOutFlow":{"value":25.7,"unit":"ml/min"},
+        "totalFlow":{"value":80,"unit":"ml/min"},
+        "muscleFlow":{"value":16.25,"unit":"ml/min"},
+        "skinFlow":{"value":7.1,"unit":"ml/min"},
+        "splanchnicFlow":{"value":20.25,"unit":"ml/min"},
+        "stomachFlow":{"value":1.9,"unit":"ml/min"},
+        "testesFlow":{"value":1.9,"unit":"ml/min"},
+        "remainderFlow":{"value":4.91,"unit":"ml/min"},
+        "adiposeVolume":{"value":10,"unit":"g"},
+        "brainVolume":{"value":1.2,"unit":"g"},
+        "heartVolume":{"value":1,"unit":"g"},
+        "kidneyVolume":{"value":2,"unit":"g"},
+        "liverVolume":{"value":11,"unit":"g"},
+        "lungVolume":{"value":1.2,"unit":"g"},
+        "muscleVolume":{"value":125,"unit":"g"},
+        "skinVolume":{"value":43.8,"unit":"g"},
+        "splanchnicVolume":{"value":15,"unit":"g"},
+        "stomachVolume":{"value":1.1,"unit":"g"},
+        "testesVolume":{"value":2.5,"unit":"g"},
+        "remainderVolume":{"value":15.8,"unit":"g"},
+        "venousVolume":{"value":13.6,"unit":"g"},
+        "arterialVolume":{"value":6.8,"unit":"g"},
+        "liverToExcrementNotes":"CL=0.13 ml/min,PC=0.39,f=0.97,V=11g->k1=0.00049/s",
+        "k1":{"value":0.0105,"unit":"1/s"}}
+
 }

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+ 252 - 66
pythonScripts/compartmentModel.ipynb


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