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PubChem as a source of polypharmacology.
Chen B, Wild D, Guha R. Chen B, et al. Among authors: guha r. J Chem Inf Model. 2009 Sep;49(9):2044-55. doi: 10.1021/ci9001876. J Chem Inf Model. 2009. PMID: 19708682
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 …
The Blue Obelisk-interoperability in chemical informatics.
Guha R, Howard MT, Hutchison GR, Murray-Rust P, Rzepa H, Steinbeck C, Wegner J, Willighagen EL. Guha R, et al. J Chem Inf Model. 2006 May-Jun;46(3):991-8. doi: 10.1021/ci050400b. J Chem Inf Model. 2006. PMID: 16711717 Free PMC article.
260 results