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An innovative element of his approach is that Ag merges first with a root verb in actives or passives, and the Ag occupies the lowest hierarchical position.
(PDF 923 KB) 13321_2013_454_MOESM3_ESM.pdf Additional file 3: Figure S2: A a panel of heat maps obtained in tests with external sets of in actives fetched from PubChem database.
This is an important observation suggesting that though not so effective in actives enrichment with single pharmacophore model, iDrug enables fast prefiltering for large compound collections before applying more accurate and computationally expensive algorithms.
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