conformal (version 0.2)

LogSDescsTrain: Small Molecule Solubility (LogS) Data: PaDEL descriptors for the taining set

Description

PaDEL descriptors have been computed for the training set.

Details

LogSDescsTrain is a data frame with PaDEL descriptors for the datapoints in the training set (30% of the LogS data).

References

Wang et al. J. Chem. Inf. Model., 2007, 47 (4), pp 1395-1404 DOI: 10.1021/ci700096r http://pubs.acs.org/doi/abs/10.1021/ci700096r

See Also

LogS