Counting clusters using R-NN curves.
Guha R, Dutta D, Wild DJ, Chen T.
Guha R, et al.
J Chem Inf Model. 2007 Jul-Aug;47(4):1308-18. doi: 10.1021/ci600541f. Epub 2007 Jun 30.
J Chem Inf Model. 2007.
PMID: 17602604
Free PMC article.
In this study, we describe an approach to selecting k, a priori, based on the R-NN curve algorithm described by Guha et al. (J. Chem. Inf. Model., 2006, 46, 1713-722), which uses a nearest-neighbor technique to characterize the spatial location of compounds in arbit …
In this study, we describe an approach to selecting k, a priori, based on the R-NN curve algorithm described by Guha et al. (J …