graphkernels (version 1.6.1)

mutag: The mutag dataset

Description

This is the mutag dataset, a well known benchmark dataset for graph processing algorithms.

Usage

data(mutag)

References

Debnath, A. K., Lopez de Compadre, R. L., Debnath, G., Shusterman, A. J., Hansch, C.: Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds. correlation with molecular orbital energies and hydrophobicity, Journal of Medicinal Chemistry, 34(2), 786-797 (1991) https://pubs.acs.org/doi/abs/10.1021/jm00106a046.

Examples

# NOT RUN {
data(mutag)
K <- CalculateWLKernel(mutag, 5)
# }