Package: DEMOVA 1.0
DEMOVA: DEvelopment (of Multi-Linear QSPR/QSAR) MOdels VAlidated using Test Set
Tool for the development of multi-linear QSPR/QSAR models (Quantitative structure-property/activity relationship). Theses models are used in chemistry, biology and pharmacy to find a relationship between the structure of a molecule and its property (such as activity, toxicology but also physical properties). The various functions of this package allows: selection of descriptors based of variances, intercorrelation and user expertise; selection of the best multi-linear regression in terms of correlation and robustness; methods of internal validation (Leave-One-Out, Leave-Many-Out, Y-scrambling) and external using test sets.
Authors:
DEMOVA_1.0.tar.gz
DEMOVA_1.0.zip(r-4.5)DEMOVA_1.0.zip(r-4.4)DEMOVA_1.0.zip(r-4.3)
DEMOVA_1.0.tgz(r-4.4-any)DEMOVA_1.0.tgz(r-4.3-any)
DEMOVA_1.0.tar.gz(r-4.5-noble)DEMOVA_1.0.tar.gz(r-4.4-noble)
DEMOVA_1.0.tgz(r-4.4-emscripten)DEMOVA_1.0.tgz(r-4.3-emscripten)
DEMOVA.pdf |DEMOVA.html✨
DEMOVA/json (API)
| # Install 'DEMOVA' in R: |
| install.packages('DEMOVA', repos = c('https://20k-p.r-universe.dev', 'https://cloud.r-project.org')) |
This package does not link to any Github/Gitlab/R-forge repository. No issue tracker or development information is available.
Last updated 9 years agofrom:a9b54a2e3b. Checks:OK: 1 NOTE: 6. Indexed: yes.
| Target | Result | Date |
|---|---|---|
| Doc / Vignettes | OK | Nov 23 2024 |
| R-4.5-win | NOTE | Nov 23 2024 |
| R-4.5-linux | NOTE | Nov 23 2024 |
| R-4.4-win | NOTE | Nov 23 2024 |
| R-4.4-mac | NOTE | Nov 23 2024 |
| R-4.3-win | NOTE | Nov 23 2024 |
| R-4.3-mac | NOTE | Nov 23 2024 |
Exports:fittinggraphe_3SetsLMOLOOpredictionpreselectionscrambselect_MLRselect_variables
Dependencies:leaps
Readme and manuals
Help Manual
| Help page | Topics |
|---|---|
| DEvelopment of (multi-linear QSPR/QSAR) MOdels VAlidated using test set. | DEMOVA-package DEMOVA |
| Performance of selected model | fitting |
| Predictions for the external validation set and graph | graphe_3Sets |
| Leave Many Out | LMO |
| Leave One Out | LOO |
| Predictions for the test set and graph | prediction |
| Suppression of missing or constant descriptors | preselection |
| scrambling | scramb |
| Development of the model (multi linear regression) | select_MLR |
| Selection of descriptors | select_variables |
