rQSAR
QSAR Modeling with Multiple Algorithms: MLR, PLS, and Random Forest
Quantitative Structure-Activity Relationship (QSAR) modeling is a valuable tool in computational chemistry and drug design, where it aims to predict the activity or property of chemical compounds based on their molecular structure. In this vignette, we present the 'rQSAR' package, which provides functions for variable selection and QSAR modeling using Multiple Linear Regression (MLR), Partial Least Squares (PLS), and Random Forest algorithms.
Versions across snapshots
| Version | Repository | File | Size |
|---|---|---|---|
1.0.0 |
rolling linux/jammy R-4.5 | rQSAR_1.0.0.tar.gz |
220.9 KiB |
1.0.0 |
rolling linux/noble R-4.5 | rQSAR_1.0.0.tar.gz |
220.8 KiB |
1.0.0 |
rolling source/ R- | rQSAR_1.0.0.tar.gz |
200.5 KiB |
1.0.0 |
latest linux/jammy R-4.5 | rQSAR_1.0.0.tar.gz |
220.9 KiB |
1.0.0 |
latest linux/noble R-4.5 | rQSAR_1.0.0.tar.gz |
220.8 KiB |
1.0.0 |
latest source/ R- | rQSAR_1.0.0.tar.gz |
200.5 KiB |
1.0.0 |
2026-04-26 source/ R- | rQSAR_1.0.0.tar.gz |
200.5 KiB |
1.0.0 |
2026-04-23 source/ R- | rQSAR_1.0.0.tar.gz |
200.5 KiB |
1.0.0 |
2026-04-09 windows/windows R-4.5 | rQSAR_1.0.0.zip |
217.6 KiB |
1.0.0 |
2025-04-20 source/ R- | rQSAR_1.0.0.tar.gz |
200.5 KiB |