“…Since the discovery of Fe 3 O 4 nanoparticles’ peroxidase-like catalytic activity in 2007, numerous nanomaterials have been reported to mimic natural enzyme-like activities, collectively termed nanozymes. − Due to their high stability and environmental tolerance, nanozymes have been widely applied in various fields such as biosensing, , antibacterial, , antitumors, , and anti-infection. , To enhance catalytic activities of nanozymes for broadening their applications, researchers have exerted significant efforts in regulating the metal active center, , nonmetal doping, , morphologies, , surface modifications, buffer pH, temperature, and substrates . However, all experimental trials have been based on extensive literature review and individual cognitive experience, drawbacks of which include repetitive trial and error, time consumption, and high labor intensity. , Therefore, establishing a model for preliminary prediction of types and activities of nanozymes is of great importance.…”