We introduce the Open Force Field (OpenFF) 2.0.0 small molecule force field for drug-like molecules, code-named Sage, which builds upon our previous iteration, Parsley. OpenFF force fields are based on direct chemical perception, which generalizes easily to highly diverse sets of chemistries based on substructure queries. Like the previous OpenFF i...
Published in Journal of Official Statistics
Short-term business statistics at Statistics Netherlands are largely based on Value Added Tax (VAT) administrations. Companies may decide to file their tax return on a monthly, quarterly, or annual basis. Most companies file their tax return quarterly. So far, these VAT based short-term business statistics are published with a quarterly frequency a...
Primary care physicians (PCPs) play an indispensable role in providing comprehensive care and referring patients for specialty care and other medical services. As the COVID-19 outbreak disrupts patient access to care, understanding the quality of primary care is critical at this unprecedented moment to support patients with complex medical needs in...
status: published
status: published
As the sharing of machine learning (ML) models has increased in popularity, more so-called model zoos are created. These repositories facilitate the sharing of models and their metadata, and other people to find and re-use an existing model. However, the metadata provided for models is insufficient, with little focus on practical aspects of a model...
In the last few years, the concept of data lake has become trendy for data storage and analysis. Thus, several approaches have been proposed to build data lake systems. However, such proposals are difficult to evaluate as there are no commonly shared criteria for comparing data lake systems. Thus, we introduce in this paper DLBench+, a benchmark to...
INTRODUCTION: Variability in adherence rates to the Seattle protocol and to surveillance interval recommendations, established quality indicators (QIs) in Barretts esophagus (BE), is unknown. METHODS: We evaluated endoscopist and site-based adherence rates to these QIs from January 2018 to May 2021 using the GI Quality Improvement Consortium nation...
INTRODUCTION: The aim of this study was to determine the acceptability and psychometric properties of the Hypo-METRICS (Hypoglycemia MEasurement, ThResholds and ImpaCtS) application (app): a novel tool designed to assess the direct impact of symptomatic and asymptomatic hypoglycemia on daily functioning in people with insulin-treated diabetes. MATE...
BACKGROUND: Elucidating compound mechanism of action (MoA) is beneficial to drug discovery, but in practice often represents a significant challenge. Causal Reasoning approaches aim to address this situation by inferring dysregulated signalling proteins using transcriptomics data and biological networks; however, a comprehensive benchmarking of suc...
