R: Multidrug Resistance Reversal (MDRR) Agent Data
mdrr
R Documentation
Multidrug Resistance Reversal (MDRR) Agent Data
Description
Svetnik et al. (2003) describe these data: "Bakken and Jurs studied a set of compounds
originally discussed by Klopman et al., who were interested
in multidrug resistance reversal (MDRR) agents. The original
response variable is a ratio measuring the ability of a
compound to reverse a leukemia cell's resistance to adriamycin.
However, the problem was treated as a classification
problem, and compounds with the ratio >4.2 were considered
active, and those with the ratio <= 2.0 were considered
inactive. Compounds with the ratio between these two cutoffs
were called moderate and removed from the data for twoclass
classification, leaving a set of 528 compounds (298
actives and 230 inactives). (Various other arrangements of
these data were examined by Bakken and Jurs, but we will
focus on this particular one.) We did not have access to the
original descriptors, but we generated a set of 342 descriptors
of three different types that should be similar to the original
descriptors, using the DRAGON software."
The data and R code are in the Supplemental Data file for the article.
Usage
data(mdrr)
Value
mdrrDescr
the descriptors
mdrrClass
the categorical outcome ("Active" or "Inactive")
Source
Svetnik, V., Liaw, A., Tong, C., Culberson, J. C., Sheridan, R. P. Feuston, B. P (2003).
Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling,
Journal of Chemical Information and Computer Sciences, Vol. 43, pg. 1947-1958.