Advanced Materials, EarlyView.Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu +3 more
wiley +1 more source
Simultaneous Quantitative Analysis of Polymorphic Impurities in Canagliflozin Tablets Utilizing Near-Infrared Spectroscopy and Partial Least Squares Regression. [PDF]
MoleculesLiu M +6 more
europepmc +1 more source
Using String Kernels to Identify Performers from their Playing Style
, 2004 In this paper we show a novel application of string kernels: that is to the problem of recognising famous pianists from their style of playing. The characteristics of performers playing the same piece are obtained from changes in beat-level tempo and ...
Shawe-Taylor, John +3 more
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Advanced Materials, EarlyView.A wearable electrochemical microneedle patch integrates Prussian Blue redox transduction with molecularly imprinted polymer recognition for reagent‐free sampling and detection of thrombo‐inflammatory biomarkers in dermal interstitial fluid. The platform tracks thrombin and inflammatory cytokines with sensitive in vitro, ex vivo, and in vivo performance,
Mahmoud Ayman Saleh +11 more
wiley +1 more source
Rapid tannin profiling of tree fodders using untargeted mid-infrared spectroscopy and partial least squares regression. [PDF]
Plant Methods, 2021 Ortuño J +6 more
europepmc +1 more source
The multivariate least trimmed squares estimator. [PDF]
In this paper we introduce the least trimmed squares estimator for multivariate regression. We give three equivalent formulations of the estimator and obtain its breakdown point. A fast algorithm for its computation is proposed.
Croux, Christophe +2 more
core
Organic Materials of Tomorrow: Horizons of Artificial Intelligence
Advanced Materials, EarlyView.This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena +3 more
wiley +1 more source
Development and validation of a sustainable spectrofluorimetric method for simultaneous quantification of amlodipine and aspirin using genetic algorithm-enhanced partial least squares regression. [PDF]
BMC ChemAlqahtani T, Alqahtani A, Almrasy AA.
europepmc +1 more source
Orthogonal-least-squares forward selection for parsimonious modelling from data
, 2009 The objective of modelling from data is not that the model simply fits the training data well. Rather, the goodness of a model is characterized by its generalization capability, interpretability and ease for knowledge extraction.
Sheng Chen, Chen, Sheng
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“Smelltronics”—From Gas to Smell Sensing
Advanced Materials, EarlyView.The emerging field of smelltronics, encompassing sensing technologies for complex volatile organic compounds, holds significant potential for extracting valuable chemical information. It facilitates the noninvasive, real‐time monitoring of humans, food, and the environment.
Takeshi Ono +7 more
wiley +1 more source