Score Erosion

This node uses the Score Erosion algorithm in order to select subsets of items/rows that

• have a high overall score, and
• are as diverse as possible

It is essentially an iterative process that first selects the item with the highest score, reduces the scores of the remaining items based on their distance to the selected item, then selects the next item with the highest score, and so on. With the erosion factor you specify whether activity should be preferred over diversity or the other way around. Details about the algorithm are available in

Maximum-Score Diversity Selection for Early Drug Discovery , Journal of Chemical Information and Modeling, vol. 51, no. 2, pp. 237-247, 2011; Doi: 10.1021/ci100426r .

An example of how to use this node can be found on the EXAMPLES server.

Input ports

1. Type: Table
   Input data
   The input table, containing at least one numeric column with scores for each row, and one distance column.

Output ports

1. Type: Table
   Selected rows
   A table containing the selected rows together with their eroded scores.
2. Type: Table
   Statistics
   A table containing information about the overall activity and diversity of the selected subset in each internal iteration.