As the integration of Large Language Models (LLMs) into scientific R&D accelerates, the associated privacy risks become increasingly critical. Scientific NoSQL repositories, which often store ...

Predictions of most machine learning (ML) models including all deep learning models 1 cannot be rationalized via human reasoning, which is often referred to as the “black box” nature of such models 2.

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. The assessment of environmental hazard indicators such as persistence, mobility, ...

Eutrophication threatens water resources across the globe. Earlier studies showed that climate-induced changes in precipitation would further exacerbate impacts, but observational records were not ...

The lack of biologically relevant protein structures can hinder rational design of small molecules to target G protein-coupled receptors (GPCRs). While ensemble docking using multiple models of the ...

Prediction and reconstruction of metabolic pathways play significant roles in many fields such as genetic engineering, metabolic engineering, drug discovery, and are becoming the most active research ...

Materials scientists constantly strive to achieve better understanding, and therefore better predictions, of materials properties. This began with the collection of empirical evidence through repeated ...