semvec/pypi-packages huggingface dataset:
pyopera 0.2.0
The NIH OPERA suite of models with Python specific functionality
License: MIT
Requires Python: >=3.8,<4.0

# PyOPERA  
The [OPERA](https://ntp.niehs.nih.gov/whatwestudy/niceatm/comptox/ct-opera/opera.html) app was developed by the NIH to run Quantitative structure–activity/property relationship (QSAR/QSPR) models. QSAR models provide a way to predict chemical toxicology without the need of animal models (Madden et al., 2020). The NIH project spun off [a repo of OPERA models](https://github.com/kmansouri/OPERA) using MATLAB, this project uses the output of the NIH OPERA open-source project and converts it to a full Python package that is as usable as possible by Python developers.


This project is under active development, full documentation can be found [here](https://cabreratoxy.github.io/pyOPERA/). 
  
# References
Madden, J. C., Enoch, S. J., Paini, A., & Cronin, M. T. (2020). A Review of In Silico Tools as Alternatives to Animal Testing: Principles, Resources and Applications. Alternatives to Laboratory Animals, 48(4), 146–172. https://doi.org/10.1177/0261192920965977