Figure 3.

A Schematic illustration of methodology used. HTS data was downloaded from PubChem [13] database. Molecular descriptors were calculated with software PowerMv [25]. Resulting data was processed to create train/test files and thereby used generate classification models on the Weka [27] workbench.

Periwal et al. BMC Pharmacology 2012 12:1   doi:10.1186/1471-2210-12-1
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