Butyrylcholinesterase (BChE) is a target of interest in late-stage Alzheimer's Disease (AD) where selective BChE inhibitors (BIs) may offer symptomatic treatment without the harsh side effects of acetylcholinesterase (AChE) inhibitors. In this study, we explore multiple machine learning strategies to identify BIs , optimizing for precision over all other metrics. We compare state-of-the-art supervised contrastive learning (CL) with deep learning (DL) and Random Forest (RF) machine learning, across single and sequential modeling configurations, to identify the best models for BChE selectivity.
View Article and Find Full Text PDFThe movement of plankton is often dictated by local flow patterns, particularly during storms and in environments with strong flows. Reefs, macrophyte beds, and other immersed structures can provide shelter against washout and drastically alter the distributions of plankton as these structures redirect and slow the flows through them. Advection-diffusion and agent-based models are often used to describe the movement of plankton within marine and fresh water environments and across multiple scales.
View Article and Find Full Text PDF