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Update README.md move Modeling section up
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README.md

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@@ -12,29 +12,6 @@ except standard Modelica library, no other dependencies are needed
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* Open Examples
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* each model in Examples package shows some feature on concrete model of drug pharmacokinetic, pharmacodynamic and pharmacogenomic. Sample model with complex physiologically based model is also shown.
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## Integration to computational workflow
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* got so `sim` directory
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```bash
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cd sim/
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```
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* and prepare virtual env in Python
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python -m venv venv
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source venv/bin/activate
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```
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* install requirements as specified in `requirements.txt` file
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```bash
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pip install -r requirements.txt
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```
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* start jupyter
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```bash
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jupyter lab
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```
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* jupyter opens in a browser interactive interface, open notebook `PK_2C_IVMidazolam.ipynb`
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* the demo contains exported 2-compartment model of Midazolam administered intravenously in FMI, its usage with `fmpy` library and integration with pharmacokinetic database containing growing number of human and machine readable data of drugs from https://pk-db.com
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## Simulator
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Live sample web simulator at: https://egolem.online/pharma
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## Modeling
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<div><div><b>Pharmacolibrary</b> is a reusable Modelica library unifying Pharmacokinetic, pharmacodynamic, toxicokinetic, toxicodynamic, and pharmacogenomic constructs with standardized pharmacological terminology, units, and acausal connectors.</div></div><div>The following acausal connectors are available and reused in library:</div>
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<div>
@@ -83,3 +60,26 @@ Live sample web simulator at: https://egolem.online/pharma
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</tbody></table>
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## Simulation outside Modelica - integration to computational workflow in Python
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* got so `sim` directory
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```bash
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cd sim/
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```
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* and prepare virtual env in Python
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python -m venv venv
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source venv/bin/activate
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```
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* install requirements as specified in `requirements.txt` file
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```bash
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pip install -r requirements.txt
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```
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* start jupyter
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```bash
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jupyter lab
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```
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* jupyter opens in a browser interactive interface, open notebook `PK_2C_IVMidazolam.ipynb`
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* the demo contains exported 2-compartment model of Midazolam administered intravenously in FMI, its usage with `fmpy` library and integration with pharmacokinetic database containing growing number of human and machine readable data of drugs from https://pk-db.com
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## Simulator
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Live sample web simulator at: https://egolem.online/pharma
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