Journal of chemical information and modeling
38829968
The design of nanozymes with superior catalytic activities is a prerequisite for broadening their biomedical applications. Previous studies have exerted significant effort in theoretical calculation and experimental trials for enhancing the catalytic...
The identification research of hydrogenation catalyst information has always been one of the most important businesses in the chemical industry. In order to aid researchers in efficiently screening high-performance catalyst carriers and tackle the pr...
Herin, a new nanohybrid acid catalyst was fabricated for the efficient biodiesel production. At the first, magnetic porous nanosheets of graphitic carbon nitride (g-CN@FeO) was prepared and then functionalized with sulfonic acid. Next, the preparatio...
The journal of physical chemistry letters
38781458
Nanozymes are unique materials with many valuable properties for applications in biomedicine, biosensing, environmental monitoring, and beyond. In this work, we developed a machine learning (ML) approach to search for new nanozymes and deployed a web...
As hazardous waste, the massive generation of spent auto-exhaust catalysts (SACs) puts enormous pressure on environmental management, but provides a rare opportunity for platinum group metals (PGMs) recycling. In this study, machine learning (ML) met...
Investigating the effects of g-CN-based photocatalysts on experimental parameters during tetracycline (TC) degradation can be helpful in discovering the optimal parameter combinations to improve the degradation efficiencies in general. Machine learni...
International journal of molecular sciences
38892439
Enzymes play a crucial role in various industrial production and pharmaceutical developments, serving as catalysts for numerous biochemical reactions. Determining the optimal catalytic temperature () of enzymes is crucial for optimizing reaction cond...
In the past decades, the amount of biomass waste has continuously increased in human living environments, and it has attracted more and more attention. Biomass is regarded as the most high-quality and cost-effective precursor material for the prepara...
Pesticide pollution has been posing a significant risk to human and ecosystems, and photocatalysis is widely applied for the degradation of pesticides. Machine learning (ML) emerges as a powerful method for modeling complex water treatment processes....