MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design
MolMiner is a fragment‐based, geometry‐aware, and order‐agnostic generative model for molecular design with strong inductive biases. Using symmetry‐aware fragment assembly, dynamic three‐dimensional geometry, and multi‐property conditioning, MolMiner enables interpretable and controllable molecular generation.
Raul Ortega‐Ochoa +2 more
wiley +1 more source
Identifying research priorities in adult intensive care in the United Kingdom: Results from a James Lind Alliance priority setting partnership. [PDF]
Rose L +25 more
europepmc +1 more source
Large Language Model‐Based Chatbots in Higher Education
The use of large language models (LLMs) in higher education can facilitate personalized learning experiences, advance asynchronized learning, and support instructors, students, and researchers across diverse fields. The development of regulations and guidelines that address ethical and legal issues is essential to ensure safe and responsible adaptation
Defne Yigci +4 more
wiley +1 more source
More than Rehabilitation: The Role of Contextual Factors in Pain Perception and Recovery: What the Physiotherapy Literature Reports-A Narrative Review with a Systematic Search Strategy. [PDF]
Leonardi G +9 more
europepmc +1 more source
Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers
Artificial intelligence is transforming the discovery of functional materials by linking synthesis, characterization, simulation, and design in unified workflows. Advances in machine learning, autonomous experimentation, and foundation models are accelerating innovation across energy, electronics, and biomedicine, while revealing new frontiers for ...
Cristiano Malica +38 more
wiley +1 more source
Accelerating Materials Discovery: A Review of Machine Learning in X‐Ray Absorption Spectroscopy
This review systematically details how machine learning transforms X‐ray absorption spectroscopy (XAS) analysis. It covers advanced deep learning architectures for structure‐spectra mapping and inverse tasks, while discussing key challenges like the simulation‐to‐reality gap.
Melaku Lake Tegegne +5 more
wiley +1 more source
Playing in the Dark: Invisible Chess as a Laboratory for Strategic AI
This paper shows that strategic AI evaluated on perfect‐information benchmarks can be brittle in real adversarial settings. By using invisible chess as a benchmark for hidden state and deception, it argues for stricter testing, human oversight, and more cautious governance of high‐stakes AI systems.
Paolo Ciancarini
wiley +1 more source
Firm turnover under asymmetric information: Tanzania's agro‐dealer sector
Abstract We study firm turnover (i.e., entry and exit) and its consumer implications in a market characterized by asymmetric information. Using a three‐round census of agro‐dealers in Tanzania's Morogoro Region, we document annual firm entry and exit rates of 33% and 17%, respectively.
Alix Naugler +3 more
wiley +1 more source
Therapeutic alliance in intensive PTSD treatment with a therapist rotation model. [PDF]
Hoogeveen M +3 more
europepmc +1 more source

