ABSTRACT Accurately knowing the frontier orbital energies of the structurally disordered small‐molecule organic semiconductors that are used in optoelectronic devices such as organic light‐emitting diodes is required to rationally improve their performance. Here, we show that these energies can be deduced with a large accuracy from the peak energies of
Christian B. McDonald +7 more
wiley +1 more source
The heterogeneous treatment effects of statins on dementia: a target trial emulation with causal machine learning using integrated genetic and real-world data. [PDF]
Lai Y +10 more
europepmc +1 more source
Data‐Driven Materials Science for Energy‐Sustainable Applications
Data‐driven approaches powered by artificial intelligence are transforming materials discovery for energy sustainability. This review examines how auto‐generated high‐quality materials databases and domain‐specific language models accelerate research in photovoltaics, thermoelectrics, batteries and magnetic materials. Applications involve extraction of
Jacqueline M. Cole
wiley +1 more source
Mapping neighbourhood-level drivers of type 2 diabetes for precision public health using predictive and causal machine learning. [PDF]
Noaeen M +6 more
europepmc +1 more source
Polyphenol‐Inspired Materials for Agricultural Applications
This review outlines the use of polyphenol‐inspired materials for sustainable agriculture, highlighting their molecular design, interfacial assembly, structure–property relationships, and prospects toward precision agriculture, climate resilience, ecosystem protection, and circular bioeconomy strategies.
Haofu Liu +8 more
wiley +1 more source
Temporal and Spatial Effect Distribution on Soil Erosion from Nationwide Forest Restoration Policies in China Revealed by Causal Machine Learning. [PDF]
Liu Z, Zhou Q, Gong M, Qu S.
europepmc +1 more source
Inorganic compound‐modified separators transform lithium–sulfur batteries from passive polysulfide confinement to active reaction‐pathway regulation. A Practical Relevance Index (PRI)‐guided framework bridges interfacial chemistry of inorganic separators with practical constraints, establishing unified design principles for scalable, high‐energy ...
Yuting Qin +7 more
wiley +1 more source
Early metoprolol use in ICU patients with congestive heart failure is associated with increased 30-day mortality: a causal machine learning study. [PDF]
Chen Y, Li T.
europepmc +1 more source
Using 640 curated electrolyte formulations, we apply data‐driven analysis to reveal how molecular features govern coulombic efficiency (CE) in lithium metal batteries. Fluorine content correlates positively with CE, while oxygen, carbon, and higher boiling points correlate negatively.
Minh Van Duong +6 more
wiley +1 more source
Evaluation of conditional treatment effect of salt stress on tomato sugar content using causal machine learning: A pilot study. [PDF]
Goto I +7 more
europepmc +1 more source

