Search results for "interpretation"
showing 10 items of 1061 documents
ChemInform Abstract: Discrimination and Molecular Design of New Theoretical Hypolipaemic Agents Using the Molecular Connectivity Functions.
2010
The molecular topology model and discriminant analysis have been applied to the prediction and QSAR interpretation of some pharmacological properties of hypolipaemic drugs using multivariable regre...
Discrimination and Molecular Design of New Theoretical Hypolipaemic Agents Using the Molecular Connectivity Functions
2000
The molecular topology model and discriminant analysis have been applied to the prediction and QSAR interpretation of some pharmacological properties of hypolipaemic drugs using multivariable regression equations with their statistical parameters. Regression analysis showed that the molecular topology model predicts these properties. The corresponding stability (cross-validation) studies done on the selected prediction models confirmed the goodness of the fits. The method used for hypolipaemic activity selection was a linear discriminant analysis (LDA). We make use of the pharmacological distribution diagrams (PDDs) as a visualizing technique for the identification and design of new hypolip…
Predicting antitrichomonal activity: A computational screening using atom-based bilinear indices and experimental proofs
2006
Existing Trichomonas vaginalis therapies are out of reach for most trichomoniasis people in developing countries and, where available, they are limited by their toxicity (mainly in pregnant women) and their cost. New antitrichomonal agents are needed to combat emerging metronidazole-resistant trichomoniasis and reduce the side effects associated with currently available drugs. Toward this end, atom-based bilinear indices, a new TOMOCOMD-CARDD molecular descriptor, and linear discriminant analysis (LDA) were used to discover novel, potent, and non-toxic lead trichomonacidal chemicals. Two discriminant functions were obtained with the use of non-stochastic and stochastic atom-type bilinear in…
Toward the Physical Interpretation of Inductive and Resonance Substituent Effects and Reexamination Based on Quantum Chemical Modeling
2017
An application of a charge of the substituent active region concept to 1-Y,4-X-disubstituted derivatives of bicyclo[2.2.2]octane (BCO) [where Y = NO2, COOH, OH, and NH2 and X = NMe2, NH2, OH, OMe, Me, H, F, Cl, CF3, CN, CHO, COMe, CONH2, COOH, NO2, and NO] provides a quantitative information on the inductive component of the substituent effect (SE). It is shown that the effect is highly additive but dependent on the kind of substituents. An application of the SE stabilization energy characteristics to 1,4-disubstituted derivatives of BCO and benzene allows the definition of inductive and resonance contributions to the overall SE. Good agreements with empirical approaches are found. All calc…
Quark and gluon distributions and $\alpha_{s}$ from nucleon structure functions at low $x$
1993
Abstract The Q2 dependence of the structure functions F2p and F2d recently measured by the NMC is compared with the predictions of perturbative QCD at next-to-leading order. Good agreement is observed, leading to accurate determinations of the quark and gluon distributions in the range 0.008 ⩽ × ⩽ 0.5. The strong coupling constant is measured from the low x data; the result agrees with previous determinations.
A non-relativistic model for the $[cc][\bar{c}\bar{c}]$ tetraquark
2017
We use a non-relativistic model to study the spectroscopy of a tetraquark composed of $[cc][\bar{c}\bar{c}]$ in a diquark-antidiquark configuration. By numerically solving the Schr\"{o}dinger equation with a Cornell-inspired potential, we separate the four-body problem into three two-body problems. Spin-dependent terms (spin-spin, spin-orbit and tensor) are used to describe the splitting structure of the $c\bar{c}$ spectrum and are also extended to the interaction between diquarks. Recent experimental data on charmonium states are used to fix the parameters of the model and a satisfactory description of the spectrum is obtained. We find that the spin-dependent interaction is sizable in the …
Quark Structure of the X (4500), X (4700) and χc(4P,5P) States
2021
We study some of the main properties (masses and open-flavor strong decay widths) of 4P and 5P charmonia. While there are two candidates for the χc0(4P,5P) states, the X(4500) and X(4700), the properties of the other members of the χc(4P,5P) multiplets are still completely unknown. With this in mind, we start to explore the charmonium interpretation for these mesons. Our second goal is to investigate if the apparent mismatch between the Quark Model (QM) predictions for χc0(4P,5P) states and the properties of the X(4500) and X(4700) mesons can be overcome by introducing threshold corrections in the QM formalism. According to our coupled-channel model results for the threshold mass shifts, th…
Reconciling open charm production at the Fermilab Tevatron with QCD
2005
We study the inclusive hadrodroduction of D^0, D^+, D^{*+}, and D_s^+ mesons at next-to-leading order in the parton model of quantum chromodynamics endowed with universal non-perturbative fragmentation functions (FFs) fitted to e^+e^- annihilation data from CERN LEP1. Working in the general-mass variable-flavor-number scheme, we resum the large logarithms through the evolution of the FFs and, at the same time, retain the full dependence on the charm-quark mass without additional theoretical assumptions. In this way, the cross section distributions in transverse momentum recently measured by the CDF Collaboration in run II at the Fermilab Tevatron are described within errors.
Science and Technology Policies: a tale of political use, misuse and abuse of traditional R&D indicators
2009
6 tables, 2 figures, 18 pages
A simple algorithm to estimate evapotranspiration from DAIS data: Application to the DAISEX campaigns
2005
DOI:10.1016/j.jhydrol.2005.03.027; The knowledge of evapotranspiration is of great interest in many applications such as assessing irrigation water use. In this paper, a methodology is presented to estimate evapotranspiration using the surface energy balance model S-SEBI (Simplified Surface Energy Balance Index) and the evaporative fraction. The method is applicable under the assumptions of constant atmospheric conditions and sufficient wet and dry pixels over the image. The model uses remotely sensed parameters such as albedo, MSAVI (Modified Soil Adjusted Vegetation Index) and surface temperature and emissivity images. The methodology has been applied over the Barrax test site, located in…