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In order to construct the |L| "pseudo single-label" binary classifiers, the original training dataset D was transformed into |L| datasets D l, where each D l contains all the instances in D. Each compound in D l is labelled active if it is labelled ( l ) and otherwise labelled inactive by the class label ¬ l.
To make the patterns visible, the protein of interest was mixed with a fluorescently labelled inactive protein.
It has also been suggested that potentially useful new agents should not be evaluated in multiple treated patient populations as they risk being labelled "inactive" [ 24].
Reduced levels of GPI-APs CD59, or membrane attack complex-inhibitory protein, and FLAER (fluorescently labelled inactive toxin aerolysin which binds to GPI-linked structures) at the cell surface have been described in many of these patients (13).
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Molecules were labeled inactive using three different cutoffs: 1, 5, and (10,upmu hbox {M}) concentrations.
Chemical assay combinations that did not show activity below the highest concentration tested were labeled inactive.
Chemical assay combinations that did not show significant activity below the highest concentration tested were labeled inactive.
Compounds that were labelled as inactive in PubChem screening assays (assays run with a single concentration) were also kept as inactive records.
Those compounds with reported LOAEL effects on organs other than liver were considered negative controls and were labelled as "inactive".
To investigate the passive loading of glycolipid to CD1d, we labelled viable but metabolic inactive cells at 4°C.
These rules depend on the distribution of values of the relevant quantity within ChEMBL and on the ranges of values corresponding to the relatively few compounds explicitly labelled as "active" or "inactive" against that target, as shown for Ki values in Figure 1.
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