The goal of CH4004Rtutorials is to introduce 1st year undergraduate Pharmaceutical Science and Chemistry students to the wonderful world of R. Manipulating and graphing data, as well as more specific statistical and other mathematical functions will be covered.
You can install the development version of CH4004Rtutorials from GitHub with:
# install.packages("pak")
pak::pak("gcshearman/CH4004Rtutorials")The ESOL and Lipophilicity datasets used in this repository come from MoleculeNet.
Reference: Wu, Z., Ramsundar, B., Feinberg, E.N. et al. MoleculeNet: a benchmark for molecular machine learning. Chem Sci 9, 513–530 (2018). https://doi.org/10.1039/C7SC02664A
Thank you to the MoleculeNet team for providing these valuable datasets.