This comprehensive review explores the pivotal role of ensemble machine learning
techniques in Quantitative Structure-Activity Relationship (QSAR) modeling for drug …

There have been numerous advances in the development of computational and statistical
methods and applications of big data and artificial intelligence (AI) techniques for computer …

Monoamine oxidases (MAOs), specifically MAO-A and MAO-B, play important roles in the
breakdown of monoamine neurotransmitters. Therefore, MAO inhibitors are crucial for …

The rapid development of computational methods and the increasing volume of chemical
and biological data have contributed to an immense growth in chemical research. This field …

Time span in literature: 1985-early 2024Natural products play a key role in drug discovery,
both as a direct source of drugs and as a starting point for the development of synthetic …

The solvation parameter model affords a useful tool to model distribution properties of
neutral compounds in biphasic separation systems. Common applications include column …

Breast cancer is a crucial global health issue, representing the most frequent cancer and a
major cause of cancer-related mortality of women. The difficulty of treating this disease is …

GRK5 holds a pivotal role in cellular signaling pathways, with its overexpression in
cardiomyocytes, neuronal cells, and tumor cells strongly associated with various chronic …

Parameter optimization in designing a rational capacitive deionization (CDI) process is
usually performed to achieve both high electrosorption capacity and speed. This …

Understanding the optimal values and interactions of parameters within each process is of
highest importance. This study is dedicated to exploring the influence of various parameters …