Results 11 to 20 of about 1,596,183 (162)
Gaussian process model based predictive control [PDF]
, 2004 Gaussian process models provide a probabilistic non-parametric modelling approach for black-box identification of non-linear dynamic systems. The Gaussian processes can highlight areas of the input space where prediction quality is poor, due to the lack ...
Rasmussen, C.E. +3 more
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Warped Gaussian process modelling of transcriptional regulation [PDF]
, 2012 This article extends recent work on Gaussian process modelling of transcriptional regulation, which assumed additive Gaussian noise of constant variance, to heteroscedastic noise.
Husmeier, D., Ji, R.
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Variational Bayesian multinomial probit regression with Gaussian process priors [PDF]
, 2006 It is well known in the statistics literature that augmenting binary and polychotomous response models with Gaussian latent variables enables exact Bayesian analysis via Gibbs sampling from the parameter posterior.
Rogers, S., Girolami, M.
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Derivative observations in Gaussian Process models of dynamic systems [PDF]
, 2003 Gaussian processes provide an approach to nonparametric modelling which allows a straightforward combination of function and derivative observations in an empirical model.
Rasmussen, C.E. +4 more
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QUANTUM MECHANICAL CALCULATIONS OF IR SPECTRA; REACTION ENERGIES OF C-O (R-O) THERMAL BOND RUPTURE FOR CEFUROXIME PRODRUGS [PDF]
مجلة جامعة الانبار للعلوم الصرفة, 2013 PM3 calculations were carried out for the estimation vibration frequencies, IR absorption intensities, normal coordinates and some physical properties as heat of formation, dipole moment, and ΔEHOMO-LUMO ---etc.
REHAB MAJED KUBBA +1 more
doaj +1 more source
Oriental Journal Of Chemistry, 2012 The vibrational wavenumbers and corresponding vibrational assignments of 2,2'-Ethylene bis(nitrilomethylidene) diphenol are examined theoretically using the Gaussian03 set of quantum chemistry codes. Comparison of the observed IR spectra with the calculated results by HartreeFock and B 3 lyp method is found in agreement with the experimental data ...
Javad Azizian +3 more
openaire +1 more source
Journal of Taibah University for Science, 2022 Obesity is a global public health concern brought on by a combination of excessive dietary intake, inactivity and genetic predisposition. Pyridopyrimidines have received considerable interest in the development of obesity and diabetes.
Ferid Yaccoubi +7 more
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International Journal of Chemical Engineering, 2008 Thermodynamic functions, including enthalpy (Hθ) and entropy (Sθ) for 76 polychlorophenazines (PCPZs) in the gas state at 298.15 K and 101.325 kPa, have been calculated using the B3LYP/6-31G∗ level with Gaussian 03 program, and considered on solvation ...
Hong-Xia Yu +3 more
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Chemistry Central Journal, 2017 A simple solvent-free protocol for the preparation of flunixin, a potent non-narcotic, non-steroidal anti-inflammatory drugs is reported using boric acid as catalyst. Its salt, flunixin meglumine are then prepared under reflux in EtOH.
Mahsa Yarhosseini +3 more
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Energetic Di- and Trinitromethylpyridines: Synthesis and Characterization
Molecules, 2017 Pyridine derivatives based on the addition of trinitromethyl functional groups were synthesized by the reaction of N2O4 with the corresponding pyridinecarboxaldoximes, then they were converted into dinitromethylide hydrazinium salts.
Yiying Zhang +5 more
doaj +1 more source