where 𝐴 𝑖 and 𝐴 𝑗 are the activities of the ith and jth inhibitors, respectively, and sim(i,j) is the similarity between them. Pairs of compounds with high SALI values are associated with AC. In this work, we analyzed pairwise comparisons with structural similarity and activity differences (∆𝑝𝐼𝐶 50 ) greater than quantile Q3 in their distributions, and it was considered as ACs the pair of compounds with SALI values higher than five.