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Predictive QSAR modeling of CCR5 antagonist piperidine derivatives using chemometric tools.
Roy K, Mandal AS. Roy K, et al. J Enzyme Inhib Med Chem. 2009 Feb;24(1):205-23. doi: 10.1080/14756360802051297. J Enzyme Inhib Med Chem. 2009. PMID: 18608745 Free article.
The whole data set was divided into a training set (75% of the dataset) and a test set (remaining 25%) on the basis of K-means clustering technique. Models developed from the training set were used to assess the predictive potential of the models using test set compounds. …
The whole data set was divided into a training set (75% of the dataset) and a test set (remaining 25%) on the basis of K-means cluste …
1,890 results