Two categories of prediction were noted, the first of which were structural alerts / PAINS etc. where a stepwise approach of introducing annotations and means for users to select a subset for filtering was ideal, and which could be a user community led exercise.  Anonymously shared alerts could be shared as well as some published data sets.

An Accelrys led effort which generated excitement and would give some edge to the ChEMBL site was the naïve Bayes Classifier prediction of activities of ChEMBL compounds based on ChEMBL data.  Model components could be made available to PP customers to allow predictions on non-ChEMBL, proprietary compounds).