Results 141 to 150 of about 175,760 (266)
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim +2 more
wiley +1 more source
The Role of Parental Monitoring in the Relationships Among Academic Motivation, School Engagement, and Dropout Intention: A Two-Wave Study of Italian Adolescents. [PDF]
Affuso G +17 more
europepmc +1 more source
Physics‐encoded transfer learning for scale‐up modeling of CHO cell bioreactors
Abstract Developing reliable predictive models for mammalian cell bioreactors, particularly Chinese hamster ovary (CHO) cultures widely used in biopharmaceutical manufacturing, remains challenging due to severe data scarcity in industrial‐scale reactors.
Muyang Li, Ming Xiao, Zhe Wu
wiley +1 more source
Effect of Meibomian Gland Expression on Meibomian Gland Regeneration and Function: A Randomized Controlled Trial. [PDF]
Le NVA +4 more
europepmc +1 more source
This study introduces a tree‐based machine learning approach to accelerate USP8 inhibitor discovery. The best‐performing model identified 100 high‐confidence repurposable compounds, half already approved or in clinical trials, and uncovered novel scaffolds not previously studied. These findings offer a solid foundation for rapid experimental follow‐up,
Yik Kwong Ng +4 more
wiley +1 more source
A statistical physics framework for optimal learning. [PDF]
Mignacco F, Mori F.
europepmc +1 more source
Data‐Driven High‐Throughput Volume Fraction Estimation From X‐Ray Diffraction Patterns
Long exposure times and the need for manual evaluation limit the use of X‐ray diffraction in high‐throughput applications. This study presents a data‐driven approach addressing both issues. HiVE (a method for High‐throughput Volume fraction Estimation) performs composition estimation for high‐noise XRD patterns produced using polychromatic emission ...
Hawo H. Höfer +6 more
wiley +1 more source
Factors Associated with Dropout Intention in Engineering Education: A Learning Interpretable Modeling Approach. [PDF]
Pedraja-Rejas L +3 more
europepmc +1 more source
Harnessing Machine Learning to Understand and Design Disordered Solids
This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley +1 more source

