toxicity {misspi}

Toxicity Data

Description

The data was created by Gul, S., Rahim, F., Isin, S. et al. (2021) doi:10.1038/s41598-021-97962-5, downloaded and cleaned from UCI Machine Learning Repository with doi:10.24432/C59313. The toxicity data consists of 171 molecules with 1203 molecule descriptors.

Usage

data(toxicity)

Format

A matrix with 171 rows and 1203 columns

References

doi: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.