diff --git a/aimsim/tasks/extended_similarity_indices.py b/aimsim/tasks/extended_similarity_indices.py index 50ff4dc..ac67b4c 100644 --- a/aimsim/tasks/extended_similarity_indices.py +++ b/aimsim/tasks/extended_similarity_indices.py @@ -3,6 +3,9 @@ this table: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-021-00505-3/tables/1 and described in "Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 1: Theory and characteristics" + +Both gen_sim_dict and calculate_counters were provided by Raymond Quintana, similar to +that which is here: https://github.com/ramirandaq/MultipleComparisons """ import json from math import log, ceil