Skip to main content

Advertisement

Table 1 List of method abbreviations.

From: Large scale study of multiple-molecule queries

Name Equations Parameters
MIN-SIM 18,1 0
MAX-SIM 17,1 0
SUM-SIM 16,1 0
NUMDEN-SIM 23,19,1 0
MIN-RANK 15,1 0
MAX-RANK 14,1 0
SUM-RANK 13,1 0
BAYES 24 0
SUM-EH*† 16,11 2
SUM-ET* 16,12 2
SUM-TP* 16,9 1
BKD 20,11 2
ETD* 20,12 2
TPD* 20,9 1
  1. A list of abbreviated names for different multiple molecule queries. In the case of any methods with weight vectors, we use equally weighted convex combinations, in other words, wi = 1/|| where || is the number of query molecules. So, for example, the SUM-SIM becomes the average similarity. Methods introduced in this study for the first time are marked with a star (*). Methods using the compressed metrics are marked with a dagger (†); the rest use corrected metrics.