Results 111 to 120 of about 26,891,998 (226)
Diffusive Versus Free-Streaming Cosmic Ray Transport in Molecular Clouds
, 2019 Understanding the cosmic ray (CR) ionization rate is crucial in order to simulate the dynamics of, and interpret the chemical species observed in molecular clouds. Calculating the CR ionization rate requires both accurate knowledge of the spectrum of MeV
Ivlev, Alexei V., Silsbee, Kedron
core +1 more source
Constant Size Molecular Descriptors For Use With Machine Learning
, 2017 A set of molecular descriptors whose length is independent of molecular size is developed for machine learning models that target thermodynamic and electronic properties of molecules. These features are evaluated by monitoring performance of kernel ridge
Carr S. +9 more
core +1 more source
Do we need to know the temperature in prestellar cores?
, 2007 Molecular line observations of starless (prestellar) cores combined with a chemical evolution modeling and radiative transfer calculations are a powerful tool to study the earliest stages of star formation. However, conclusions drawn from such a modeling
Henning, Th. +2 more
core +1 more source
, 2010 Stars in galaxies form in giant molecular clouds that coalesce when the atomic hydrogen is converted into molecules. There are currently two dominant models for what property of the galactic disk determines its molecular fraction: either hydrostatic ...
Beck +63 more
core +1 more source
Molecular modelling of fentanyl analogs
Journal of the Serbian Chemical Society, 2004 Fentanyl is a highly potent and clinically widely used narcotic analgesic. A large number of its analogs have been synthesized, some of which (sufentanil and alfentanyl) are also in clinical use. Theoretical studies, in recent years, afforded a better understanding of the structure-activity relationships of this class of opiates and allowed insight ...
openaire +5 more sources
Ion Pair Potentials-of-Mean-Force in Water
, 1994 Recent molecular simulation and integral equation results alkali-halide ion pair potentials-of-mean-force in water are discussed. Dielectric model calculations are implemented to check that these models produce that characteristic structure of contact ...
Garcia, Angel E. +2 more
core +1 more source
A Melanoma Molecular Disease Model
PLoS ONE, 2011 While advanced melanoma remains one of the most challenging cancers, recent developments in our understanding of the molecular drivers of this disease have uncovered exciting opportunities to guide personalized therapeutic decisions. Genetic analyses of melanoma have uncovered several key molecular pathways that are involved in disease onset and ...
Keith T. Flaherty +5 more
openaire +5 more sources
Severity parameter and global importance factor of non-newtonian models in 3D reconstructed human left coronary artery [PDF]
, 2011 This paper was presented at the 3rd Micro and Nano Flows Conference (MNF2011), which was held at the Makedonia Palace Hotel, Thessaloniki in Greece.
3rd Micro and Nano Flows Conference (MNF2011) +4 more
core
Fast and Accurate Uncertainty Estimation in Chemical Machine Learning
, 2018 We present a scheme to obtain an inexpensive and reliable estimate of the uncertainty associated with the predictions of a machine-learning model of atomic and molecular properties.
Ceriotti, Michele +3 more
core +1 more source
Nature Communications, 2018 Dendritic cells (DC) are important regulators of both innate and adaptive immunity, but how the DC pool is homeostatically maintained in vivo is unclear.
Gulce Itir Percin +6 more
doaj +1 more source