Journal of chemical information and modeling
Dec 26, 2023
Deep learning has become a powerful and frequently employed tool for the prediction of molecular properties, thus creating a need for open-source and versatile software solutions that can be operated by nonexperts. Among the current approaches, direc...
Journal of chemical information and modeling
Nov 21, 2023
Geometric deep learning is one of the main workhorses for harnessing the power of big data to predict molecular properties such as aqueous solubility, which is key to the pharmacokinetic improvement of drug candidates. Two ensembles of graph neural n...
Environmental monitoring and assessment
Nov 20, 2023
The continuous monitoring of total suspended solids (TSS) in streams plays an important role in the management of hydrological processes, and TSS is also a decisive parameter in the control of pollution in streams. Determination of TSS involves both ...
Successfully addressing the complex global sanitation problem is a massive undertaking. Anaerobic digestion (AD), coupled with post-treatment, has been identified as a promising technology to contribute to meeting this goal. It offers multiple benefi...
As important mobile genetic elements, phages support the spread of antibiotic resistance genes (ARGs). Previous analyses of metaviromes or metagenome-assembled genomes (MAGs) failed to assess the extent of ARGs transferred by phages, particularly in ...
International journal of biological macromolecules
Oct 30, 2023
In the present study, a new application was proposed for the eucalyptus sawdust waste, which is an environmental passive. Three adsorbent materials composed of chitosan (CS), sawdust (CSW), and magnetic beads (CSWF) were developed and used for the Di...
ETHNOPHARMACOLOGICAL RELEVANCE: As a traditional Chinese medicine, Artemisia argyi has been used medicinally and eaten for more than 2000 years in China. It is widely reported in treating inflammatory diseases such as eczema, dermatitis, arthritis, a...
Recently, there has been growing concern about the discharge of water-soluble polymers (especially synthetic polymers) into the environment. Therefore, the identification of water-soluble polymers in water samples is becoming increasingly crucial. In...
We report on a field demonstration of a rover-based drilling mission to search for biomolecular evidence of life in the arid core of the Atacama Desert, Chile. The KREX2 rover carried the Honeybee Robotics 1 m depth The Regolith and Ice Drill for Exp...
Predicting water and energy consumption at high resolution over a short-term horizon is critical for water and energy resource management. Water and energy are shown to be closely interlinked in household consumption. However, hourly predictions are ...