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https://github.com/computationalphysiology/drug-database

Command line interface for getting info about drugs
https://github.com/computationalphysiology/drug-database

Last synced: about 2 months ago
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Command line interface for getting info about drugs

Host: GitHub
URL: https://github.com/computationalphysiology/drug-database
Owner: ComputationalPhysiology
License: mit
Created: 2022-12-08T07:20:50.000Z (about 2 years ago)
Default Branch: main
Last Pushed: 2022-12-08T11:22:24.000Z (about 2 years ago)
Last Synced: 2024-10-31T07:49:15.873Z (3 months ago)
Language: Python
Homepage: https://computationalphysiology.github.io/drug-database/
Size: 46.9 KB
Stars: 1
Watchers: 3
Forks: 0
Open Issues: 0
Metadata Files:
- Readme: README.md
- License: LICENSE
- Citation: CITATION.cff

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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 ([email protected])