Quoted spreads and trade imbalance dynamics in the European treasury bond market [PDF]
, 2010 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 ...
Caporale, GM, Girardi, A, Paesani, P
core +3 more sources
Journal of Pharmacy & Pharmaceutical Sciences, 2013 PURPOSE. Rate of brain penetration (logPS), brain/plasma equilibration rate (logPS-brain), and extent of blood-brain barrier permeation (logBB) of 29 α-adrenergic and imidazoline-receptors ligands were examined in Quantitative-Structure-Property ...
Katarina Nikolic +4 more
doaj +1 more source
QSAR study for carcinogenicity in a large set of organic compounds [PDF]
, 2012 In our continuing efforts to find out acceptable Absorption, Distribution, Metabolization, Elimination and Toxicity (ADMET) properties of organic compounds, we establish linear QSAR models for the carcinogenic potential prediction of 1464 compounds taken
Castro, Eduardo Alberto +3 more
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Degree-Based Molecular Descriptors and QSPR Analysis of Breast Cancer Drugs
Journal of Mathematics, 2022 The disease that involves abnormal cell growth and spreads through the surrounding tissues damaging other parts of the body is cancer. Breast cancer is the most common one out of many types.
M. C. Shanmukha +3 more
doaj +1 more source
GTI-space : the space of generalized topological indices [PDF]
, 2008 A new extension of the generalized topological indices (GTI) approach is carried out torepresent 'simple' and 'composite' topological indices (TIs) in an unified way.
A.R Matamala +34 more
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Ozonation of trace organic compounds in different municipal and industrial wastewaters : kinetic-based prediction of removal efficiency and ozone dose requirements [PDF]
, 2020 For the wide application of ozonation in (industrial and municipal) wastewater treatment, prediction of trace organic compounds (TrOCs) removal and evaluation of energy requirements are essential for its design and operation.
Demeestere, Kristof +8 more
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Gas phase carbon acidity and correlations with aqueous pK~a~ values: A comparison of B3LYP/6-311++G(d,p), Gaussian-4 (G4), and experimental approaches [PDF]
, 2010 Gas phase standard state (298.15 K, 1 atm) calculations were conducted at the B3LYP/6-311++G(d,p) density functional and the Gaussian-4 (G4) composite method levels of theory to estimate the acidity of various carbon acids.
Kaya Forest, Sierra Rayne
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A study on anti-malaria drugs using degree-based topological indices through QSPR analysis.
Mathematical biosciences and engineering : MBE, 2023 The use of topological descriptors is the key method, regardless of great advances taking place in the field of drug design. Descriptors portray the chemical characteristic of a molecule in numerical form, that is used for QSAR/QSPR models. The numerical
Xiujun Zhang +5 more
semanticscholar +1 more source
Inverse Quantum Chemistry: Concepts and Strategies for Rational Compound Design [PDF]
, 2014 The rational design of molecules and materials is becoming more and more important. With the advent of powerful computer systems and sophisticated algorithms, quantum chemistry plays an important role in rational design.
Reiher, Markus, Weymuth, Thomas
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How the parts organize in the whole : a top-downview of molecular descriptors and properties for QSARand drug design [PDF]
, 2008 Sometimes the complexity of a system, or the properties derived from it, do depend neither on the individual characteristics of the components of the system nor on the nature of the physical forces that hold them together.
Estrada, Ernesto +1 more
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