Metadata-Version: 2.1
Name: drug-database
Version: 0.1.3
Summary: Tool for getting scaling factors from different drugs
Author-email: Henrik Finsberg <henriknf@simula.no>
License: Copyright 2022 Henrik Finsberg
        
        Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:
        
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# Drug database
Simple command line interface for getting scaling factors for different drugs

- Documentation: https://ComputationalPhysiology.github.io/drug-database/
- Source code: https://github.com/ComputationalPhysiology/drug-database

## Install
```
$ python -m pip install drug-database
```
Once installed you will get access to the `drug-db` command.

## Usage
Get help using
```
$ drug-db --help
```

### List all available drugs
```
$ drug-db list-drugs
    Drugs
┏━━━━━━━━━━━━━━━━┓
┃           Name ┃
┡━━━━━━━━━━━━━━━━┩
│        Sotalol │
│      Azimilide │
│      Ibutilide │
│    Risperidone │
│ Clarithromycin │
│    Terfenadine │
│       Bepridil │
│       Pimozide │
│     Dofetilide │
│   Disopyramide │
│      Cisapride │
│      Tamoxifen │
│     Vandetanib │
│     Metropolol │
│     Droperidol │
│     Loratadine │
│     Ranolazine │
│      Quinidine │
│      Diltiazem │
│     Astemizole │
│   Nitrendipine │
│ Chlorpromazine │
│      Clozapine │
│        Control │
│     Nifedipine │
│      Verapamil │
│    Domperidone │
│    Ondansetron │
│     Mexiletine │
└────────────────┘
```

### Showing information about specific drug
```
$ drug-db show-drug Verapamil
   Scaling factors for drug
     Verapamil and FPC 1
┏━━━━━━━━━━━━━━━━━━━┳━━━━━━━━┓
┃              Name ┃ Value  ┃
┡━━━━━━━━━━━━━━━━━━━╇━━━━━━━━┩
│    scale_drug_INa │ 1.0    │
│   scale_drug_INaL │ 1.0    │
│    scale_drug_Ito │ 1.0    │
│   scale_drug_ICaL │ 0.7342 │
│    scale_drug_IKr │ 0.8815 │
│    scale_drug_IKs │ 1.0    │
│    scale_drug_IK1 │ 1.0    │
│    scale_drug_IKb │ 1.0    │
│   scale_drug_INab │ 1.0    │
│   scale_drug_ICab │ 1.0    │
│   scale_drug_IpCa │ 1.0    │
│ scale_drug_Isacns │ 1.0    │
│  scale_drug_Isack │ 1.0    │
└───────────────────┴────────┘
```

Note that this is showing the values that are 1 times FPC (FIXME: explain what this means). If you want to get the values for 5 times FPC the you can do
```
$ drug-db show-drug Verapamil --fpc 5
   Scaling factors for drug
     Verapamil and FPC 5
┏━━━━━━━━━━━━━━━━━━━┳━━━━━━━━┓
┃              Name ┃ Value  ┃
┡━━━━━━━━━━━━━━━━━━━╇━━━━━━━━┩
│    scale_drug_INa │ 1.0    │
│   scale_drug_INaL │ 0.9997 │
│    scale_drug_Ito │ 1.0    │
│   scale_drug_ICaL │ 0.3199 │
│    scale_drug_IKr │ 0.5588 │
│    scale_drug_IKs │ 1.0    │
│    scale_drug_IK1 │ 1.0    │
│    scale_drug_IKb │ 1.0    │
│   scale_drug_INab │ 1.0    │
│   scale_drug_ICab │ 1.0    │
│   scale_drug_IpCa │ 1.0    │
│ scale_drug_Isacns │ 1.0    │
│  scale_drug_Isack │ 1.0    │
└───────────────────┴────────┘
```

### json support
By default the tables are displayed in a [Rich table](https://rich.readthedocs.io/en/stable/tables.html), however sometimes you might want to use these values in another program in which you can convert the values to json by using the `--json` flag, e.g
```
$ drug-db show-drug Verapamil --fpc 5 --json
{"scale_drug_INa": 1.0, "scale_drug_INaL": 0.9997, "scale_drug_Ito": 1.0, "scale_drug_ICaL": 0.3199, "scale_drug_IKr": 0.5588, "scale_drug_IKs": 1.0, "scale_drug_IK1": 1.0, "scale_drug_IKb": 1.0,
"scale_drug_INab": 1.0, "scale_drug_ICab": 1.0, "scale_drug_IpCa": 1.0, "scale_drug_Isacns": 1.0, "scale_drug_Isack": 1.0}
```
You can also save this to a file using e.g
```
$ drug-db show-drug Verapamil --fpc 5 --json > verapamil_5.json
```


## License
MIT

## Author
Henrik Finsberg (henriknf@simula.no)
