MUBD‐DecoyMaker 2.0: A Python GUI Application to Generate Maximal Unbiased Benchmarking Data Sets for Virtual Drug Screening
Sign Up to like & getrecommendations! Published in 2019 at "Molecular Informatics"
DOI: 10.1002/minf.201900151
Abstract: Ligand enrichment assessment based on benchmarking data sets has become a necessity for the rational selection of the best‐suited approach for prospective data mining of drug‐like molecules. Up to now, a variety of benchmarking data… read more here.
Keywords: benchmarking data; data sets; drug; mubd decoymaker ... See more keywords
BIM-based benchmarking for healthcare construction projects
Sign Up to like & getrecommendations! Published in 2020 at "Automation in Construction"
DOI: 10.1016/j.autcon.2020.103347
Abstract: Abstract In the healthcare industry, the BIM-based benchmarking approach was identified as an alternative method to improve the current laborious and error-prone benchmarking practice by reducing manual inputs required for data collection and entry. However,… read more here.
Keywords: construction; benchmarking data; bim based; based benchmarking ... See more keywords
Maximal Unbiased Benchmarking Data Sets for Human Chemokine Receptors and Comparative Analysis
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.8b00004
Abstract: Chemokine receptors (CRs) have long been druggable targets for the treatment of inflammatory diseases and HIV-1 infection. As a powerful technique, virtual screening (VS) has been widely applied to identifying small molecule leads for modern… read more here.
Keywords: data sets; benchmarking data; mubd hcrs; maximal unbiased ... See more keywords
Improving the Reliability of, and Confidence in, DFT Functional Benchmarking through Active Learning.
Sign Up to like & getrecommendations! Published in 2025 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.4c01729
Abstract: Validating the performance of exchange-correlation functionals is vital to ensure the reliability of density functional theory (DFT) calculations. Typically, these validations involve benchmarking data sets. Currently, such data sets are usually assembled in an unprincipled… read more here.
Keywords: reliability; active learning; dft functional; benchmarking data ... See more keywords
FreeHi-C simulates high fidelity Hi-C data for benchmarking and data augmentation
Sign Up to like & getrecommendations! Published in 2019 at "Nature methods"
DOI: 10.1038/s41592-019-0624-3
Abstract: The ability to simulate high-throughput chromatin conformation (Hi-C) data is foundational for benchmarking Hi-C data analysis methods. Here we present a nonparametric strategy named FreeHi-C to simulate Hi-C data from the interacting genome fragments. Data… read more here.
Keywords: benchmarking data; augmentation; high fidelity; data augmentation ... See more keywords
Cross-Registry Benchmarking of Data Quality: Lessons Learned.
Sign Up to like & getrecommendations! Published in 2023 at "Studies in health technology and informatics"
DOI: 10.3233/shti230096
Abstract: Feedback of data quality measures to study sites is an established procedure in the management of registries. Comparisons of data quality between registries as a whole are missing. We implemented a cross-registry benchmarking of data… read more here.
Keywords: benchmarking data; quality; data quality; registry benchmarking ... See more keywords