Results 161 to 170 of about 181,083 (295)

AI‐Enhanced Surface‐Enhanced Raman Scattering for Accurate and Sensitive Biomedical Sensing

open access: yesAdvanced Intelligent Discovery, EarlyView.
AI‐SERS advances spectral interpretation with greater precision and speed, enhancing molecular detection, biomedical analysis, and imaging. This review explores its essential contributions to biofluid analysis, disease identification, therapeutic agent evaluation, and high‐resolution biomedical imaging, aiding diagnostic decision‐making.
Seungki Lee, Rowoon Park, Ho Sang Jung
wiley   +1 more source

As mães sabem avaliar adequadamente o peso das crianças? [PDF]

open access: gold, 2002
Maria Antonieta de Barros Leite Carvalhães   +1 more
openalex   +1 more source

What to Make and How to Make It: Combining Machine Learning and Statistical Learning to Design New Materials

open access: yesAdvanced Intelligent Discovery, EarlyView.
Combining machine learning and probabilistic statistical learning is a powerful way to discover and design new materials. A variety of machine learning approaches can be used to identify promising candidates for target applications, and causal inference can help identify potential ways to make them a reality.
Jonathan Y. C. Ting, Amanda S. Barnard
wiley   +1 more source

A Machine Learning Perspective on the Brønsted–Evans–Polanyi Relation in Water‐Gas Shift Catalysis on MXenes

open access: yesAdvanced Intelligent Discovery, EarlyView.
Machine learning predicts activation energies for key steps in the water‐gas shift reaction on 92 MXenes. Random Forest is identified as the most accurate model. Reaction energy and reactant LogP emerge as key descriptors. The approach provides a predictive framework for catalyst design, grounded in density functional theory data and validated through ...
Kais Iben Nassar   +3 more
wiley   +1 more source

Graph Attention Neural Networks for Interpretable and Generalizable Prediction of Janus III–Vi Van Der Waals Heterostructures

open access: yesAdvanced Intelligent Discovery, EarlyView.
A crystal graph neural network based on the attention mechanism is proposed in this work. The model dynamically weights features through the attention mechanism, enabling precise prediction of properties of material from structural features. Here, taking Janus III–VI van der Waals heterostructures as a representative case, the properties have been ...
Yudong Shi   +7 more
wiley   +1 more source

Interpretable Machine Learning for Solvent‐Dependent Carrier Mobility in Solution‐Processed Organic Thin Films

open access: yesAdvanced Intelligent Discovery, EarlyView.
This work establishes a correlation between solvent properties and the charge transport performance of solution‐processed organic thin films through interpretable machine learning. Strong dispersion interactions (δD), moderate hydrogen bonding (δH), closely matching and compatible with the solute (quadruple thiophene), and a small molar volume (MolVol)
Tianhao Tan, Lian Duan, Dong Wang
wiley   +1 more source

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

open access: yesAdvanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

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