Results 71 to 80 of about 7,878 (217)

Beyond Silicon: Toward Sustainable, NIR‐II, and Conformable Organic Photodiodes

open access: yesAdvanced Energy Materials, Volume 16, Issue 6, 11 February 2026.
In this perspective, a strategic shift in organic photodetector (OPD) research is proposed: instead of the incremental advances in silicon's stronghold arena, the most impactful future for OPDs lies in addressing silicon's intrinsic limitations, i.e., detection in the longer wavelength range above silicon's coverage (>1100 nm, termed as near infrared ...
Hrisheekesh Thachoth Chandran   +7 more
wiley   +1 more source

A Comprehensive Review of Adsorbents for Rare Earth Separation: Design, Synthesis, Adsorption Performance, and Mechanisms

open access: yesRare Metals, Volume 45, Issue 2, February 2026.
ABSTRACT Rare earth elements (REEs) play an irreplaceable role in modern technology and industry. However, due to the highly similar physicochemical properties among REEs, their separation remains a significant challenge. Additionally, REEs often exist in low‐concentration solutions, making efficient REE recovery an urgent task.
Miao‐Miao Huang   +6 more
wiley   +1 more source

Toward Integrative Predictive Toxicology: Advanced Methods for Drug Toxicity and Safety Prediction

open access: yesWIREs Computational Molecular Science, Volume 16, Issue 1, January/February 2026.
This figure summarizes the different methods in integrative predictive toxicology reviewed in this work, ranging from exploration of molecular mechanisms to in silico pharmacokinetic modeling and construction of adverse outcome pathway (AOP) networks based on key events (KEs) and key event relationships (KERs). Further integration with multi‐omics data
Eleonora Gianquinto   +6 more
wiley   +1 more source

Machine-learning-driven QSPR models for energetic molecules: A review on safety and energetic properties prediction

open access: yesChemical Engineering Journal Advances
The performance prediction and rational design of energetic molecules (EMs) remain central challenges in their development. Traditional experimental methods are constrained by prohibitively high costs and inherent safety risks, highlighting the urgent ...
Mingchi Gao   +5 more
doaj   +1 more source

A 2D-QSPR approach to predict blood-brain barrier penetration of drugs acting on the central nervous system

open access: yesBrazilian Journal of Pharmaceutical Sciences, 2010
Drugs acting on the central nervous system (CNS) have to cross the blood-brain barrier (BBB) in order to perform their pharmacological actions. Passive BBB diffusion can be partially expressed by the blood/brain partition coefficient (logBB).
Matheus Malta de Sá   +2 more
doaj   +1 more source

QSPR Modeling of Bioconcentration Factors of Nonionic Organic Compounds

open access: yesEnvironmental Health Insights, 2010
The terms bioaccumulation and bioconcentration refer to the uptake and build-up of chemicals that can occur in living organisms. Experimental measurement of bioconcentration is time-consuming and expensive, and is not feasible for a large number of chemicals of potential regulatory concern. A highly effective tool depending on a quantitative structure-
Mohammad Goodarzi   +2 more
openaire   +4 more sources

Assessing the effectiveness of Vertex‐ and Edge‐Degree‐Based Topological Indices for Modeling Physical Properties of Mononuclear Aromatic Hydrocarbons

open access: yesInternational Journal of Mathematics and Mathematical Sciences, Volume 2026, Issue 1, 2026.
There are many physical properties of mononuclear aromatic hydrocarbons (MAHs) are primarily governed by their environmental behavior, which affects their stability and activity with themselves or with other biological and environmental systems. This study revealed the predictive potential of topological indices (TIs) based on vertex and edge degrees ...
Zinah F. Salih   +4 more
wiley   +1 more source

Application of Inverse QSAR/QSPR Analysis for Pesticides Structures Generation

open access: yesActa Chimica Slovenica, 2019
The present work has focused on the application of the inverse-QSAR/QSPR problem for generating new structures of pesticides; this is in view of its extremely important and widespread use in several areas, particularly the agricultural field.
Belgacem Souyei   +3 more
doaj   +1 more source

On Wiener Index for Generalised Subdivision Neighbourhood Corona of Graphs

open access: yesInternational Journal of Mathematics and Mathematical Sciences, Volume 2026, Issue 1, 2026.
Graph operations such as the corona product play a significant role in analysing and constructing complex networks. In this work, we examine the Wiener index within the framework of generalised subdivision graph operations. We establish precise bounds for the Wiener index of the generalised subdivision vertex neighbourhood corona for graphs with ...
Vimal M.   +3 more
wiley   +1 more source

Eco‐Smart Ionic Liquids in the 21st Century: A Comprehensive Review on Molecular Innovation for Sustainable Environmental Solutions

open access: yesJournal of Engineering, Volume 2026, Issue 1, 2026.
Ionic liquids (ILs) have matured from laboratory curiosities to eco‐smart, molecularly tunable media underpinning sustainable chemical technologies. This review integrates a bibliometric mapping of the 2000–2025 literature with a critical synthesis of IL design principles, structure–property relationships, and application landscapes.
M. M. Nour   +3 more
wiley   +1 more source

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