# -------------------------------------------- # CITATION file created with {cffr} R package # See also: https://docs.ropensci.org/cffr/ # -------------------------------------------- cff-version: 1.2.0 message: 'To cite package "rQSAR" in publications use:' type: software license: MIT title: 'rQSAR: QSAR Modeling with Multiple Algorithms: MLR, PLS, and Random Forest' version: 1.0.0 doi: 10.32614/CRAN.package.rQSAR abstract: 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. authors: - family-names: George given-names: Oche Ambrose email: ocheab1@gmail.com orcid: https://orcid.org/0000-0002-3979-6232 repository: https://CRAN.R-project.org/package=rQSAR date-released: '2024-04-02' contact: - family-names: George given-names: Oche Ambrose email: ocheab1@gmail.com orcid: https://orcid.org/0000-0002-3979-6232