qsarify

A free and open source Python package for the development, validation, and visualization of QSAR/QSPR models.

License

This project is licensed under the GNU GPLv3 license. See the LICENSE file for more details.

Acknowledgements

• Authors acknowledge the support from the National Science Foundation for the grant award NSF/IUCRC/CB2-2113804 "Center for Bioplastic and Biocomposites (CB2)", and from the United States Navy’s Office of Naval Research under grant number N00014-22-1-2129.
• This work was also supported in part by the National Science Foundation NSF-MRI award OAC-2019077.
• The authors are grateful for financial and administrative support provided by the Department of Coatings and Polymer Materials (NDSU).
• Finally, This work used resources of the Center for Computationally Assisted Science and Technology (CCAST) at North Dakota State University, which were made possible in part by NSF MRI Award No. 2019077.

Citation

If you use this library in your work, please cite it as follows:

Szwiec, Stephen. (2023). qsarify: A high performance library for QSAR model development.

BibTex:

@misc{szwiec2023qsarify,
  authors = {Szwiec, Stephen and Rasulev, Bakhtiyor},
  title = {qsarify: A high performance library for QSAR model development},
  year = {2023},
  publisher = {GitHub},
  journal = {GitHub repository},
  howpublished = {\url{https://github.com/stephenszwiec/qsarify}},
  }