Imputation of Assay Bioactivity Data Using Deep Learning.

We describe a novel deep learning neural network method and its application to impute assay pIC50 values. Unlike conventional machine learning approaches, this method is trained on sparse bioactivity data as input, typical of that found in public and commercial databases, enabling it to learn directly from correlations between activities measured in different assays. In two case studies on public domain data sets we show that the neural network method outperforms traditional quantitative structure-activity relationship (QSAR) models and other leading approaches. Furthermore, by focusing on only the most confident predictions the accuracy is increased to R2 > 0.9 using our method, as compared to R2 = 0.44 when reporting all predictions

Field-aligned currents in Saturn’s magnetosphere: Observations from the F-ring orbits

We investigate the azimuthal magnetic field signatures associated with high‐latitude field‐aligned currents observed during Cassini's F‐ring orbits (October 2016–April 2017). The overall ionospheric meridional current profiles in the northern and southern hemispheres, that is, the regions poleward and equatorward of the field‐aligned currents, differ most from the 2008 observations. We discuss these differences in terms of the seasonal change between data sets and local time (LT) differences, as the 2008 data cover the nightside while the F‐ring data cover the post‐dawn and dusk sectors in the northern and southern hemispheres, respectively. The F‐ring field‐aligned currents typically have a similar four current sheet structure to those in 2008. We investigate the properties of the current sheets and show that the field‐aligned currents in a hemisphere are modulated by that hemisphere's “planetary period oscillation” (PPO) systems. We separate the PPO‐independent and PPO‐related currents in both hemispheres using their opposite symmetry. The average PPO‐independent currents peak at ~1.5 MA/rad just equatorward of the open closed field line boundary, similar to the 2008 observations. However, the PPO‐related currents in both hemispheres are reduced by ~50% to ~0.4 MA/rad. This may be evidence of reduced PPO amplitudes, similar to the previously observed weaker equatorial oscillations at similar dayside LTs. We do not detect the PPO current systems' interhemispheric component, likely a result of the weaker PPO‐related currents and their closure within the magnetosphere. We also do not detect previously proposed lower latitude discrete field‐aligned currents that act to “turn off” the PPOs

Field-aligned currents in Saturn's magnetosphere: local time dependence of southern summer currents in the dawn sector between midnight and noon

We examine and compare the magnetic field perturbations associated with field-aligned ionosphere-magnetosphere coupling currents at Saturn, observed by the Cassini spacecraft during two sequences of highly inclined orbits in 2006/2007 and 2008 under late southern summer conditions. These sequences explore the southern currents in the dawn-noon and midnight sectors, respectively, thus allowing investigation of possible origins of the local time (LT) asymmetry in auroral Saturn kilometric radiation (SKR) emissions, which peak in power at ~8 h LT in the dawn-noon sector. We first show that the dawn-noon field data generally have the same four-sheet current structure as found previously in the midnight data and that both are similarly modulated by “planetary period oscillation” (PPO) currents. We then separate the averaged PPO-independent (e.g., subcorotation) and PPO-related currents for both LT sectors by using the current system symmetry properties. Surprisingly, we find that the PPO-independent currents are essentially identical within uncertainties in the dawn-dusk and midnight sectors, thus providing no explanation for the LT dependence of the SKR emissions. The main PPO-related currents are, however, found to be slightly stronger and narrower in latitudinal width at dawn-noon than at midnight, leading to estimated precipitating electron powers, and hence emissions, that are on average a factor of ~1.3 larger at dawn-noon than at midnight, inadequate to account for the observed LT asymmetry in SKR power by a factor of ~2.7. Some other factors must also be involved, such as a LT asymmetry in the hot magnetospheric auroral source electron population

Field-aligned currents in Saturn's northern nightside magnetosphere: Evidence for interhemispheric current flow associated with planetary period oscillations

We investigate the magnetic perturbations associated with field-aligned currents observed on 34 Cassini passes over the premidnight northern auroral region during 2008. These are found to be significantly modulated not only by the northern planetary-period oscillation (PPO) system, similar to the southern currents by the southern PPO system found previously, but also by the southern PPO system as well, thus providing the first clear evidence of PPO-related interhemispheric current flow. The principal field-aligned currents of the two PPO systems are found to be co-located in northern ionospheric colatitude, together with the currents of the PPO-independent (subcorotation) system, located between the vicinity of the open-closed field boundary and field lines mapping to ~9 Saturn radius (Rs) in the equatorial plane. All three systems are of comparable magnitude, ~3 MA in each PPO half-cycle. Smaller PPO-related field-aligned currents of opposite polarity also flow in the interior region, mapping between ~6 and ~9 Rs in the equatorial plane, carrying a current of ~ ±2 MA per half-cycle, which significantly reduce the oscillation amplitudes in the interior region. Within this interior region the amplitudes of the northern and southern oscillations are found to fall continuously with distance along the field lines from the corresponding hemisphere, thus showing the presence of cross-field currents, with the southern oscillations being dominant in the south, and modestly lower in amplitude than the northern oscillations in the north. As in previous studies, no oscillations related to the opposite hemisphere are found on open field lines in either hemisphere

The effect of current inhomogeneity on the performance and degradation of Li-S batteries

The effect of thermal gradients on the performance and cycle life of Li-S batteries is studied using bespoke single-layer Li-S cells, with isothermal boundary conditions maintained by Peltier elements. A temperature difference is shown to cause significant current imbalance between parallel connected single-layer cells, causing the hotter cell to provide more charge and discharge capacities during cycling. During charge, significant shuttle is induced in the hotter Li-S cell, causing accelerated degradation of it. A bespoke multi-tab cell in which the inner layers are electrically connected to different tabs versus the outer layers, is used to demonstrate that noticeable current inhomogeneity occurs during the operation of practical multilayer Li-S pouch cells, which is expected to affect their performance and degradation. The observed thermal and current inhomogeneity should have a direct consequence on battery pack and thermal management system design for real world Li-S battery packs