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The parallel artificial membrane permeation assay (PAMPA) was developed as a model for the prediction of transcellular permeation in the process of drug absorption. In our previous report, it was revealed that PAMPA permeability is governed by log P, pK (a), and the hydrogen-bonding ability of compounds. In order to construct a new filtering method for(More)
Two virtual screening strategies, "query by bagging" (QBag) and "query by bagging with descriptor-sampling" (QBagDS), based on active learning were devised. The QBag strategy generates multiple structure-activity relationship rules by bagging and selects compounds to improve the rules. To find many structurally diverse hits, the QBagDS strategy generates(More)
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