Before developing ML models, we analyze the presence of ACs in STADS with 217 compounds using a Structure-Activity Similarity (SAS) map. To this end, we computed all 23,436 pairwise comparisons using the Tanimoto coefficient and Extended Connectivity Fingerprint of radius 2 (ECFP4) (2048-bits) . ACs were identified using the Structure-Activity Landscape Index (SALI), defined as follows :