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A novel approach for analysis of structure-activity relationships for sets of active compounds is reported.
In addition, the medicinal plants are a source of active compounds able to exert therapeutic and toxic activities [ 26].
Figure 2 Chemical structures of active compounds.
(b) The corresponding percentage of active compounds.
Enrichment factor (EF) compares the ratio of active compounds in the entire dataset to the ratio of active compounds within the top (chi ) ranked compounds [20].
The cover ratio of active compounds is used to estimate the necessary number of samplings, since identified BASs should cover the majority of active compounds.
The distribution of active compounds of ExCAPE-DB and ChEMBL themselves are shown in Fig. 3.
The magnitude of this imbalance prohibits the extraction of characteristic substructures of active compounds.
Usually, candidate structures covering the maximum number of active compounds were employed.
Indeed, how many plants can be considered as potential sources of active compounds?
LetA i be the set of active compounds for each target i.
More suggestions(18)
of active composites
of active carbons
of active chemicals
of active plants
of active facilities
of active components
of involved compounds
of effective compounds
of active compositions
of interactive compounds
of active complexes
of active products
of active phytochemicals
of energetic compounds
of active product
of reactive compounds
of activities compounds
of active complex
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