Results 71 to 80 of about 11,478 (188)
Toward Integrative Predictive Toxicology: Advanced Methods for Drug Toxicity and Safety Prediction
WIREs 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
International 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
International Journal of Analytical ChemistryTopological descriptors and QSPR analysis are statistical techniques that are highly beneficial for analyzing various physical and chemical characteristics of molecular graphs without necessitating expensive and time-consuming laboratory experiments. The
Sumiya Nasir
doaj +1 more source
QSPR Model for Regulatory Purpose: from Development to Integration into the QSAR Toolbox
Chemical Engineering Transactions, 2016 Quantitative Structure-Property Relationships (QSPR) are predictive methods of macroscopic properties of substances based on their only molecular structures.
Guillaume Fayet, Patricia Rotureau
doaj +1 more source
On Wiener Index for Generalised Subdivision Neighbourhood Corona of Graphs
International 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
Journal 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
MULTIVARIATE LINEAR QSPR/QSAR MODELS: RIGOROUS EVALUATION OF VARIABLE SELECTION FOR PLS
Computational and Structural Biotechnology Journal, 2013 Basic chemometric methods for making empirical regression models for QSPR/QSAR are briefly described from a user's point of view. Emphasis is given to PLS regression, simple variable selection and a careful and cautious evaluation of the performance of ...
Kurt Varmuza +2 more
doaj +3 more sources
Some hypothesis on commonality in liquidity: New evidence from the Chinese stock market [PDF]
In this paper, we examine four specific hypotheses relating to commonality in liquidity on the Chinese stock markets. These hypotheses are: (a) that market-wide liquidity determines liquidity of individual stocks; (b) that liquidity varies with firm size;
Paresh Kumar Narayan +2 more
core
Modelling Flavour Release through Quantitative Structure Property Relationships (QSPR)
CHIMIA, 2001 The use of QSPR to explain the partition behaviour of flavour compounds in different matrices and to predict dynamic flavour release from certain food systems is described.
Andrew J. Taylor, Robert S.T. Linforth
doaj +2 more sources
Penetration enhancing effect of phytoceramides [PDF]
, 2012 Ceramides are essential components in the stratum corneum barrier function. Different classes of ceramides are present in human skin, differing in the nature of sphingosine and acyl moieties with respect to chain length, degree of saturation and the ...
Boonen, Jente +5 more
core +1 more source