Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation
Advanced 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
Hydrothermal Transformation of Organic Matter in the Case of Domanik Shale Deposits. [PDF]
MoleculesOnishenko Y +9 more
europepmc +1 more source
Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion
Advanced Intelligent Discovery, EarlyView.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
Microorganisms from Antarctica: A Review of Their Potential in the Bioremediation of Hydrocarbon-Contaminated Soils. [PDF]
MicroorganismsNaranjo-Moran J +2 more
europepmc +1 more source
Advanced Intelligent Discovery, EarlyView.This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo +3 more
wiley +1 more source
Phytochemical Diversity in <i>Populus trichocarpa</i> Buds: Insights into Population Variation and Antifungal Properties. [PDF]
Plants (Basel)Cothron SC, Leftwich L, Chen JG, Chen F.
europepmc +1 more source
In Situ Contact Angle Measurement for Autonomous Spin Coating in Self‐Driving Labs
Advanced Intelligent Discovery, EarlyView.A vision‐based add‐on transforms commercial spin coaters into autonomous modules of Self‐Driving Labs. Combining a width‐scaled U‐Net with classical geometric analysis, the system simultaneously measures contact angles and estimates substrate pose using a single camera.
Sven Fischer, Micha Hiegle, Holger Röhm
wiley +1 more source
Organ-Specific Accumulation and Health Risk Assessment of Aliphatic and Polycyclic Aromatic Hydrocarbons in Tilapia zillii. [PDF]
Environ Anal Health ToxicolIfeanyi Kenneth A +4 more
europepmc +1 more source
Modular Electronic Microrobots With Onboard Sensor‐Program‐Steered Locomotion
Advanced Intelligent Systems, EarlyView.Modular electronic smartlet microrobots integrate ambient‐light energy harvesting, photodetection, programmable CMOS control, and bubble‐based actuation within a sub‐millimeter fold‐up architecture. A 58‐bit on‐board CMOS chiplet enables sensor–program steered switching between independently addressable actuators, achieving closed‐loop 2D navigation in
Vineeth K. Bandari +6 more
wiley +1 more source