Starting from an appropriate data frame containing chemistry, biology and assay information, built from SQL querying onto the selected ML we can develop prediction and identification procedures. This section summarizes the subsequent procedures and algorithms employed. Whatever the route we take to identify pathways or targets of interest, or putative bioactive molecules, we can make them converge to confirm each others predictions.

The schema on the left tries to illustrate how methodology described in the links below sustains an integrative prediction modelling.