In Silico Prediction of the Toxicity of Nitroaromatic Compounds: Application of Ensemble Learning QSAR Approach.

In this work, a dataset of more than 200 nitroaromatic compounds is used to develop Quantitative Structure-Activity Relationship (QSAR) models for the estimation of in vivo toxicity based on 50% lethal dose to rats (LD). An initial set of 4885 molecular descriptors was generated and applied to build Support Vector Regression (SVR) models. The best two SVR models, SVR_A and SVR_B, were selected to build an Ensemble Model by means of Multiple Linear Regression (MLR).

Inflammatory and functional responses after (bio)diesel exhaust exposure in allergic sensitized mice. A comparison between diesel and biodiesel.

Unlabelled: Many cities fail to meet air quality standards, which results in increased risk for pulmonary disorders, including asthma. Human and experimental studies have shown that diesel exhaust (DE) particles are associated with worsening of allergic asthma. Biodiesel (BD), a cleaner fuel from renewable sources, was introduced in the eighties.

h/e Superconducting Quantum Interference through Trivial Edge States in InAs.

Josephson junctions defined in strong spin orbit semiconductors are highly interesting for the search for topological systems. However, next to topological edge states that emerge in a sufficient magnetic field, trivial edge states can also occur. We study the trivial edge states with superconducting quantum interference measurements on nontopological InAs Josephson junctions.

Temper, temperature, and temptation: heat-related retaliation in baseball.

In this study, we analyzed data from 57,293 Major League Baseball games to test whether high temperatures interact with provocation to increase the likelihood that batters will be hit by a pitch. Controlling for a number of other variables, we conducted analyses showing that the probability of a pitcher hitting a batter increases sharply at high temperatures when more of the pitcher's teammates have been hit by the opposing team earlier in the game. We suggest that high temperatures increase retaliation by increasing hostile attributions when teammates are hit by a pitch and by lowering inhibitions against retaliation.