pathway_prediction
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Pathway Prediction
Applicable Domain
For all compounds we calculate an applicability score that indicates whether the compound is similar to the training set, in terms of fingerprints and compatible rules. Additionally, all functional groups containing hetero atoms are highlighted in green (red), indicating that they are (not) sufficiently represented in the training set. The evaluation of the applicability domain criteria can be visualized in the pathway view (see example).
pathway_prediction.1710839777.txt.gz · Last modified: 2024/03/19 09:16 by shankar