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After Big Data Failed: The Enduring Allure of Numbers in the Wake of the 2016...
When widespread polling failed to accurately predict the 2016 US presidential election, producers and consumers of data didn’t abandon faith in numbers. Instead, they have... -
Extension of a Charged Anisotropic United Atoms Model to Polycyclic Aromatic ...
A new potential model for polycyclic aromatic hydrocarbons has been developed on the basis of a charged anisotropic united atoms (AUA) potential with six AUA force centers and... -
r37980778c78--dfdeb242b1560ad77f8f560135b99b11
The quality of QSAR (Quantitative Structure−Activity Relationships) predictions depends on a large number of factors including the descriptor set, the statistical method, and... -
Agricultural rent in land-use models: comparison of frequently used proxies
This paper compares the performance of econometric land-use models based on three proxies for agricultural land rent: farmers’ revenues, land prices and shadow land prices... -
r37980778c78--62cb8a6bed2375c08a7774fe51f2c6a9
The computational design of new materials has long been a “holy grail” within the materials chemistry community. However, accurate prediction of glass properties from first... -
Enterococci Predictions from Partial Least Squares Regression Models in Conju...
Beach health advisories are issued if enterococci (ENT) densities exceed the 30-d geometric mean or single-sample water quality criteria. Current ENT enumeration procedures... -
Combining location-and-scale batch effect adjustment with data cleaning by la...
Background In the context of high-throughput molecular data analysis it is common that the observations included in a dataset form distinct groups; for example, measured at... -
Analysis of Diffusion and Sorption of Organic Solutes in Soil-Bentonite Barri...
A series of laboratory studies was conducted to assess the transport of chloride, trichloroethylene (TCE), and aniline in soil-bentonite (SB) slurry wall materials. Column... -
r37980778c78--918152d55511c194e4a138f4f3e1bc1c
This work demonstrates how the mathematical models developed by Kagan and co-workers1a,b to describe nonlinear enantioselectivity behavior may also be used to predict reaction... -
The N400 as an index of lexical preactivation and its implications for predic...
The N400 component's amplitude is standardly reduced for predictable words. But it is not clear whether this reduction truly reflects preactivation of the critical word or... -
Wakelet of Stakeholder Engagement Event, Edinburgh
A collection of images, presentations and tweets related to the Blue-Action stakeholder engagement event held on 16th October 2019 in Edinburgh City Chambers. The title of the... -
r37980778c78--dfcfe6ad01e89a6a47832e0190472d49
Near-infrared (NIR) reflection spectroscopy was used for in-line analysis of the conversion and the coating thickness (5−20 μm) of UV-cured clear and pigmented acrylate... -
Setup and Validation of a <i>P</i>ρ<i>T</i> Measuring Device. Volumetric Beha...
A measuring device, based on the vibrating tube principle, for measuring PρT data is described. The device was checked against the recommended literature values of the 1-hexanol... -
QSAR − How Good Is It in Practice? Comparison of Descriptor Sets on an Unbias...
The quality of QSAR (Quantitative Structure−Activity Relationships) predictions depends on a large number of factors including the descriptor set, the statistical method, and... -
r37980778c78--ac5a1dc53acdfde8a40bcc386dcbb3b7
Isothermal vapor−liquid equilibria were determined for two binary ionic liquid + water systems, from 323.3 to 368.2 K, and water mole fractions greater than 0.5. The ionic... -
dedup_wf_001--89711c2657395332b992ad8e99f91212
With the increasing availability of both new large scale data sources as well as computational power, specific algorithms for the analysis of these data have seen widespread use... -
Substitution Patterns in Aromatic Rings by Increment Analysis. Model Developm...
The aromatic region of two-dimensional heteronuclear 1H, 13C NMR spectra of natural organic matter and related materials (e.g., 1H and 13C chemical shifts ranging from... -
Using numerical models to design the future of Arctic observing system: insig...
Poster presented at the YOPP Arctic Science workshop (Helsinki, 14-16 Jan 2019) -
Solid/Liquid Phase Diagram of the Ammonium Sulfate/Malonic Acid/Water System
We have studied the thermodynamic properties of the ammonium sulfate/malonic acid/water system using differential scanning calorimetry and infrared spectroscopy of thin films.... -
Predicting Methyl <i>tert</i>-Butyl Ether, <i>tert</i>-Butyl Formate, and <i>...
Through its extensive use as a fuel oxygenate, methyl tert-butyl ether (MTBE) is found nearly ubiquitously throughout the environment. To better understand the environmental...
