R3mCalculate
A function to calculate the molecular descriptor R3m (R-GETAWAY third order autocorrelation index weighted by atomic mass).
You are now following this Submission
- You will see updates in your followed content feed
- You may receive emails, depending on your communication preferences
Cite As
Kevin (2026). R3mCalculate (https://github.com/deboyk/R3mCalculate/releases/tag/v1.1.1), GitHub. Retrieved .
DeBoyace, Kevin, et al. “Modeling and Prediction of Drug Dispersability in Polyvinylpyrrolidone-Vinyl Acetate Copolymer Using a Molecular Descriptor.” Journal of Pharmaceutical Sciences, vol. 107, no. 1, Elsevier BV, Jan. 2018, pp. 334–43, doi:10.1016/j.xphs.2017.10.003.
Acknowledgements
Inspired: GetAtomCoords
General Information
- Version 1.1.1 (12.9 KB)
-
View License on GitHub
MATLAB Release Compatibility
- Compatible with any release
Platform Compatibility
- Windows
- macOS
- Linux
| Version | Published | Release Notes | Action |
|---|---|---|---|
| 1.1.1 | See release notes for this release on GitHub: https://github.com/deboyk/R3mCalculate/releases/tag/v1.1.1 |
||
| 1.1.0 | Improvements to the MolecMatrix function by Mustafa Bookwala |
||
| 1.0.0 |
