The data was created by Gul, S., Rahim, F., Isin, S. et al. (2021) tools:::Rd_expr_doi("https://doi.org/10.1038/s41598-021-97962-5"), downloaded and cleaned from UCI Machine Learning Repository with tools:::Rd_expr_doi("10.24432/C59313"). The toxicity data consists of 171 molecules with 1203 molecule descriptors.
data(toxicity)A matrix with 171 rows and 1203 columns
tools:::Rd_expr_doi("https://doi.org/10.1038/s41598-021-97962-5") Gul, S., Rahim, F., Isin, S., Yilmaz, F., Ozturk, N., Turkay, M., & Kavakli, I. H. (2021). Structure-based design and classifications of small molecules regulating the circadian rhythm period. Scientific reports, 11(1), 18510.