We boys sweats present a small molecule pKa prediction tool entirely written in Python.It predicts the macroscopic pKa value and is trained on a literature compilation of monoprotic compounds.Different machine learning models were tested and random forest performed best given a five-fold cross-validation (mean absolute error=0.682, root mean square

Amblyomma americanum ticks transmit more than a third of human tick-borne disease (TBD) agents in the United States.Tick saliva proteins are critical to success of ticks as vectors of TBD agents, and thus might serve as targets in tick antigen-based vaccines to prevent TBD infections.We describe a systems biology approach to identify, by LC-MS/MS,

The aim of this study was to analyze the microhardness of two resin-modified glass ionomer cements (Vitremer; Fuji II LC); two polyacid-modified composite resins (Freedom; F2000) and a hybrid composite resin (Prodigy), at different depths from the upper surface.Six hemi-cylinders (3 mm height; 3 mm radius) per tested material were obtained.Vickers

Alzheimer disease (AD), commonly known as senile dementia, is the most common type of dementia, resulting in progressive impairment of cognitive function, and is often accompanied by a variety of psychiatric symptoms, such as agitation.Agitated symptoms in AD patients often cause an increasing burden on caregivers, and current Lemonade psychiatric

The purpose of the no-reference Greens image quality assessment (NR-IQA) is to measure perceived image quality based on subjective judgments; however, due to the lack of a clean reference image, this is a complicated and unresolved challenge.Massive new IQA datasets have facilitated the creation of deep learning-based image quality measurements.We