Journal of chemical information and modeling
Jul 22, 2025
Fraction unbound in plasma () is a crucial parameter in physiologically based toxicokinetic (PBTK) models, representing the fraction of a chemical compound that is not sequestered by plasma proteins when present in the bloodstream. This is often used...
Despite advancements in in vitro fertilization (IVF) over the past 30 years, its outcome effectiveness remains low (20-40%). This study introduces a microfluidic-based machine learning framework to improve predictive accuracy in oocyte quality assess...
Traditional statistical approaches have advanced our understanding of the genetics of complex diseases, yet are limited to linear additive models. Here we applied machine learning (ML) to genome-wide data from 41,686 individuals in the largest Europe...
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Jul 21, 2025
The present study explores the application of advanced machine learning algorithms combined with vis-NIRS and FTIR spectroscopy to detect and quantify adulteration in Barrantes wine, produced from the Folla Redonda grape, a variety exclusive to the G...
Rural domestic sewage has emerged as an important reservoir of antibiotic resistance genes (ARGs) under rapid urbanization, while the national-scale geographical patterns and risks of ARGs remaining unclear. We investigated ARG pollution in rural dom...
Quality by Digital Design (QbDD) employs in-silico experimentation to reduce wet-lab reliance and accelerate development. Design space identification is critical for QbDD to overcome bottlenecks and streamline process design. Traditional design space...
The accumulation of organic pollutants in the environment has significantly impacted the lives of flora and fauna, resulting in disruptions in the biological ecosystem. Carcinogenicity has been one of the most alarming adverse effects exhibited by th...
High-flow events that significantly impact Water Resource Recovery Facility (WRRF) operations are rare, but accurately predicting these flows could improve treatment operations. Data-driven modeling approaches could be used; however, high flow events...
Ecotoxicology and environmental safety
Jul 21, 2025
Global urbanization has significantly contributed to soil contamination by heavy metals (HMs), posing serious ecological risks, particularly within urban green spaces (UGS). This study focused on UGS soils in Lanzhou, a major river-valley city in Chi...
The tumor microenvironment plays a critical role in tumor progression and immune response, with the extracellular matrix (ECM) regulating immune cell infiltration. However, the interplay between ECM dynamics and tumor immunity remains poorly understo...
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