/cipated

Primary LanguagePythonCreative Commons Zero v1.0 UniversalCC0-1.0

CiPA Open Data: Tabulated Experimental Data (TED) format python package

Abstract

This python package provides basic functionality to read and write datasets following the Tabulated Experimental Data (TED) format for electrophysiology raw data (e.g., ion channel data collected under the Comprehensive in vitro Proarrhythmia Assay [CiPA] initiative).

For a use case example, see Alvarez-Baron et. al "hERG block potencies for 5 positive control drugs obtained per ICH E14/S7B Q&As best practices: impact of recording temperature and drug loss". J Pharamacol Tox Methods 2022. https://doi.org/10.1016/j.vascn.2022.107193. The original raw recordings as well as derived TED datasets, analysis scripts, tabulated results, figures, and reports generated using this package are also available at https://osf.io/6w5vn/.

See LICENSE and DISCLAIMER at the end of this document.

Prepare your python environment (optional)

These instructions assume you already have python 3.7.7 or conda installed in your system.

  • Create the cipa-suite directory
    cd ~/code
    mkdir cipa-suite
    

Linux

  • Create a python virtual environment. Here we create the cipavenv environment in ~/code/cipa-suite

    cd ~/code/cipa-suite
    python -m venv cipavenv
    
  • Next, activate the virtual environment.

    source ~/code/cipa-suite/cipavenv/bin/activate
    
  • Upgrade pip to the most recent version

    pip install --upgrade pip
    

Anaconda (conda)

  • Create a python virtual environment. Here we create the cipavenv environment in ~/code/cipa-suite:

    cd ~/code/cipa-suite
    conda create -p cipavenv
    
  • Activate the new conda environment:

    conda activate .\cipavenv
    
  • Install python 3.7.7:

    conda install python==3.7.7
    

Setup

Clone the cipated repository from https://github.com/FDA/cipated or get a copy of the source code.

Install cipa package and dependencies

  • Change to the directory where you have the source code of cipated

    cd ~/code/cipa-suite/cipated
    
  • Install cipated in editable mode so you can both use it and make changes without reinstalling it.

    This will also install the package dependencies

    pip install -e .
    

Development and deployment tips

How to build the package for distribution from the source code

To create a source and wheels distributions, type python setup.py sdist bdist_wheel in the command line.

How to generate a local copy of the documentation

Install the following additional requirements:

pip install sphinx sphinx-autobuild sphinx-autodoc-typehints mock autodoc myst-parser

Next, assuming you have a copy of the source code in ~/code/cipa-suite/cipated, you can generate a local html version of the documentation from the command line as follows:

cd ~/code/cipa-suite/cipated/docs
make html

Authors

Jose Vicente Ruiz <jose.vicenteruiz@fda.hhs.gov>

Senior Staff Fellow
Division of Cardiology and Nephrology
Office of Cardiology, Hematology, Endocrinology and Nephrology
Office of New Drugs
Center for Drug Evaluation and Research
U.S. Food and Drug Administration

Manni Mashaee <manni.mashaee@fda.hhs.gov>

ORISE Fellow
Division of Cardiology and Nephrology
Office of Cardiology, Hematology, Endocrinology and Nephrology
Office of New Drugs
Division of Applied Regulatory Science
Office of Clinical Pharmacology, Office of Translational Sciences
Center for Drug Evaluation and Research
U.S. Food and Drug Administration

License

This code is in the public domain within the United States, and copyright and related rights in the work worldwide are waived through the CC0 1.0 Universal Public Domain Dedication. This example is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See DISCLAIMER section below, the COPYING file in the root directory of this project and https://creativecommons.org/publicdomain/zero/1.0/ for more details.

Disclaimer

FDA assumes no responsibility whatsoever for use by other parties of the Software, its source code, documentation or compiled executables, and makes no guarantees, expressed or implied, about its quality, reliability, or any other characteristic. Further, FDA makes no representations that the use of the Software will not infringe any patent or proprietary rights of third parties. The use of this code in no way implies endorsement by the FDA or confers any advantage in regulatory decisions.