Results 71 to 80 of about 11,633 (209)
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
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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
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Rare 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
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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
Quoted Spreads and Trade Imbalance Dynamics in the European Treasury Bond Market [PDF]
Using high-frequency transaction data for the three largest European markets (France, Germany and Italy), this paper documents the existence of an asymmetric relationship between market liquidity and trading imbalances: when quoted spreads rise (fall ...
Alessandro Girardi +2 more
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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
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Exploring the chemical-functional space of cell-penetrating peptides [PDF]
, 2012 Cell penetrating peptides (CPPs) are an increasingly growing part of fundamental and applied peptide research. Using their capacity to cross cell barriers, they have already been successfully applied as carriers for problematic cargos like DNA, (si)RNA ...
De Spiegeleer, Bart +2 more
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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
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Transdermal penetration enhancing effect of the N-alkylamide spilanthol [PDF]
, 2012 The dermal penetration of compounds may be influenced by other compounds when mixtures are presented to the skin. Plant extracts, often used in cosmeceuticals, are complex mixtures of wanted bio-actives as well as undesirable impurities like ...
Boonen, Jente +4 more
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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
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