Advanced Experiment Design Strategies for Drug Development
Wang et al. analyze 592 drug development studies published between 2020 and 2024 that applied design of experiments methodologies. The review surveys both classical and emerging approaches—including Bayesian optimization and active learning—and identifies a critical gap between advanced experimental strategies and their practical adoption in ...
Fanjin Wang +3 more
wiley +1 more source
Takens-Based Kernel Transfer Entropy Connectivity Network for Motor Imagery Classification. [PDF]
Gomez-Rivera A +3 more
europepmc +1 more source
A Generalized Framework for Data‐Efficient and Extrapolative Materials Discovery for Gas Separation
This study introduces an iterative supervised machine learning framework for metal‐organic framework (MOF) discovery. The approach identifies over 97% of the best performing candidates while using less than 10% of available data. It generalizes across diverse MOF databases and gas separation scenarios.
Varad Daoo, Jayant K. Singh
wiley +1 more source
New Properties of Holomorphic Sobolev-Hardy Spaces. [PDF]
Gryc W, Lanzani L, Xiong J, Zhang Y.
europepmc +1 more source
Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia +1 more
wiley +1 more source
Data-driven Mori-Zwanzig modeling of Lagrangian particle dynamics in turbulent flows. [PDF]
de Wit XM +5 more
europepmc +1 more source
A low‐cost, self‐driving laboratory is developed to democratize autonomous materials discovery. Using this "frugal twin" hardware architecture with Bayesian optimization, the platform rapidly converges to target lower critical solution temperature (LCST) values while self‐correcting from off‐target experiments, demonstrating an accessible route to data‐
Guoyue Xu, Renzheng Zhang, Tengfei Luo
wiley +1 more source
Interactive visualization of metric distortion in nonlinear data embeddings using the distortions package. [PDF]
Sankaran K, Zhang S, Chenab, Meilă M.
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
Kernel-FastICA-Based Nonlinear Blind Source Separation for Anti-Jamming Satellite Communications. [PDF]
Sun X, Li C, Li J, Su Q.
europepmc +1 more source

