The datasets chosen for this expanded benchmarking included well-characterized sets of angiotensin converting enzyme (ACE) inhibitors [11], acetylcholinesterase (AChE) inhibitors [11], anti-tuberculosis agents (ATA) [12], CCR5 receptor antagonists (CCR5) [13], thermolysin inhibitors (THERM) [11], and thrombin inhibitors (THR) [11]. Here, ACHE is linked to tuberculosis.