pyopera 0.1.13

The NIH OPERA suite of models with Python specific functionality

pyOPERA

The OPERA 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 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.

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