Machine Learning to Predict Homolytic Dissociation Energies of C−H Bonds: Calibration of DFT‐based Models with Experimental Data
Sign Up to like & getrecommendations! Published in 2022 at "Molecular Informatics"
DOI: 10.1002/minf.202200193
Abstract: Random Forest (RF) QSPR models were developed with a data set of homolytic bond dissociation energies (BDE) previously calculated by B3LYP/6‐311++G(d,p)//DFTB for 2263 sp3C−H covalent bonds. The best set of attributes consisted in 114 descriptors… read more here.
Keywords: dissociation energies; dft; mae kcal; experimental data ... See more keywords
Technical Note: Harmonic analysis applied to MR image distortion fields specific to arbitrarily shaped volumes
Sign Up to like & getrecommendations! Published in 2018 at "Medical Physics"
DOI: 10.1002/mp.13000
Abstract: PURPOSE Magnetic resonance imaging is expected to play a more important role in radiation therapy given the recent developments in MR-guided technologies. MR images need to consistently show high spatial accuracy to facilitate RT-specific tasks… read more here.
Keywords: image; analysis; harmonic analysis; distortion ... See more keywords
Simulating spray droplet impaction outcomes: Comparison with experimental data.
Sign Up to like & getrecommendations! Published in 2020 at "Pest management science"
DOI: 10.1002/ps.5736
Abstract: BACKGROUND A suite of plant retention spray models has been developed to simulate spray retention using virtual surfaces (either single leaves or whole plants) and their outputs compared with experimental data for the equivalent spray… read more here.
Keywords: spray; plant; droplet; impaction ... See more keywords
Aspirin as a Potential Geroprotector: Experimental Data and Clinical Evidence.
Sign Up to like & getrecommendations! Published in 2021 at "Advances in experimental medicine and biology"
DOI: 10.1007/978-3-030-55035-6_11
Abstract: Aging is a biological process with effects at the molecular, cellular, tissue, organ, system, and organismal levels and is characterized by decline in physical function and higher risks of age-related diseases. The use of anti-aging… read more here.
Keywords: data clinical; evidence; experimental data; potential geroprotector ... See more keywords
Assessment of variogram reproduction in the simulation of decorrelated factors
Sign Up to like & getrecommendations! Published in 2021 at "Stochastic Environmental Research and Risk Assessment"
DOI: 10.1007/s00477-021-02005-0
Abstract: Multiple variables that are correlated should be jointly simulated and the resulting realizations should reproduce the experimental data statistics (i.e. histogram, variogram, correlation coefficients). Multivariate transforms such as principal component analysis (PCA), minimum/maximum autocorrelation factors… read more here.
Keywords: reproduction; usepackage; multivariate; experimental data ... See more keywords
Evaluating algorithms of removing EOG artifacts with experimental data in brain computer interface
Sign Up to like & getrecommendations! Published in 2017 at "Cluster Computing"
DOI: 10.1007/s10586-017-1555-3
Abstract: In this paper, the authors investigate and compare two types of algorithms for removing EOG artifacts in EEG measurements. First, the sources that introduce EOG artifacts are explained and the authors briefly review the existing… read more here.
Keywords: removing eog; artifacts experimental; experimental data; evaluating algorithms ... See more keywords
Wind-induced pressure at a tunnel portal
Sign Up to like & getrecommendations! Published in 2018 at "Environmental Fluid Mechanics"
DOI: 10.1007/s10652-018-9589-5
Abstract: In order to properly size the mechanical ventilation system of a tunnel, it is essential to estimate the wind-driven pressure difference that might rise between its two portals. In this respect, we explore here the… read more here.
Keywords: tunnel portal; wind direction; tunnel; experimental data ... See more keywords
Integration of Uncertain Data in Geostatistical Modelling
Sign Up to like & getrecommendations! Published in 2017 at "Mathematical Geosciences"
DOI: 10.1007/s11004-016-9667-5
Abstract: Most geostatistical estimation and simulation methodologies assume the experimental data as hard measurements, meaning that the measures of a given property of interest are not associated with uncertainty. The challenge of integrating uncertain experimental data… read more here.
Keywords: methodology; uncertain data; experimental data; integration uncertain ... See more keywords
Comparing interconversion methods between linear viscoelastic material functions
Sign Up to like & getrecommendations! Published in 2018 at "Mechanics of Time-Dependent Materials"
DOI: 10.1007/s11043-017-9363-y
Abstract: A variety of methods applicable to the interconversion of static (creep) and dynamic (relaxation) functions, with regard to appropriate experimental data of various polymers is investigated and compared. The effectiveness of the selected methods was… read more here.
Keywords: relaxation; function; comparing interconversion; experimental data ... See more keywords
Efficient Experimental and Data-Centered Workflow for Microstructure-Based Fatigue Data
Sign Up to like & getrecommendations! Published in 2021 at "Experimental Mechanics"
DOI: 10.1007/s11340-021-00758-x
Abstract: Early fatigue mechanisms for various materials are yet to be unveiled for the (very) high-cycle fatigue (VHCF) regime. This can be ascribed to a lack of available data capturing initial fatigue damage evolution, which continues… read more here.
Keywords: efficient experimental; data sets; fatigue; experimental data ... See more keywords
Nuclear structure of the even–even rare-earth Er–Os nuclei for N = 102
Sign Up to like & getrecommendations! Published in 2019 at "Indian Journal of Physics"
DOI: 10.1007/s12648-019-01461-3
Abstract: In the present research, the nuclear deformation of even–even rare-earth Er–Os isotopes with N = 102 has been calculated using a new empirical equation and an interacting boson model (IBM-1). The potential energy surface, reduced transition probabilities… read more here.
Keywords: nuclear structure; even rare; even even; rare earth ... See more keywords