For EI fragmentation data, [205] used a consensus scoring to selected candidates.
We based the classification kNN QSAR method in this study on an ensemble of models that uses a consensus scoring scheme whereby an average value of the binary classifications from all individual models (0 = "nontoxic," 1 = "toxic"), for which a chemical was found within the respective applicability domains, is recorded.
Our approach, which uses a consensus score, is more successful at recovering SMISPs of known inhibitors.
The study also reports serotype-specific virtual leads identified from a library of 9175 alkaloids, using a consensus docking and scoring approach.
The refined average pair-wise Q-scores are generated using a consensus approach (as MULTICOM-CONSTRUCT server in CASP9).
Also, the use of a consensus scoring process between two or more observers should be encouraged as this would improve inter-observer agreement.
Often a consensus scoring mechanism is derived using machine learning techniques such as decision trees (Darnell et al., 2007) or support vector machines (Cho et al., 2009; Lise et al., 2009), although ad hoc consensus schemes are effective as well (Guney et al., 2008; Tuncbag et al., 2009).
The best ranked "poses" were further analyzed using X-score [ 36, 37], which is a consensus scoring function to calculate the binding affinity.
It involves a training step, where the most predictive sub-terms of different scoring functions are determined and used for calculation of a consensus score.
In cases of discordance, a consensus score was used.
