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Related papers: Large Row-Constrained Supersaturated Designs for H…

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High throughput screening of compounds (chemicals) is an essential part of drug discovery [7], involving thousands to millions of compounds, with the purpose of identifying candidate hits. Most statistical tools, including the industry…

Machine Learning · Statistics 2017-09-29 Ivo D. Shterev , David B. Dunson , Cliburn Chan , Gregory D. Sempowski

A major public health issue is the growing resistance of bacteria to antibiotics. An important part of the needed response is the discovery and development of new antimicrobial strategies. These require the screening of potential new drugs,…

Applications · Statistics 2026-02-19 Byran Smucker , Benjamin Brennan , Emily Rego , Meng Wu , Zhihong Lin , Brian Ahmer , Blake Peterson

High-throughput screening (HTS) is a large-scale hierarchical process in which a large number of chemicals are tested in multiple stages. Conventional statistical analyses of HTS studies often suffer from high testing error rates and…

Applications · Statistics 2017-07-13 Tao Feng , Pallavi Basu , Wenguang Sun , Hsun Teresa Ku , Wendy J. Mack

A supersaturated design is a design whose run size is not large enough for estimating all the main effects. The goodness of multi-level supersaturated designs can be judged by the generalized minimum aberration criterion proposed by Xu and…

Statistics Theory · Mathematics 2007-06-13 Hongquan Xu , C. F. J. Wu

Efficient exploration of multicomponent material composition spaces is often limited by time and financial constraints, particularly when mixture and synthesis constraints exist. Traditional methods like Latin hypercube sampling (LHS)…

Computation · Statistics 2025-02-20 Christina Schenk , Maciej Haranczyk

A constrained multivariate linear model is a multivariate linear model with the columns of its coefficient matrix constrained to lie in a known subspace. This class of models includes those typically used to study growth curves and…

Methodology · Statistics 2021-01-05 Dennis Cook , Liliana Forzani , Lan Liu

Gene expression is a complex phenomenon involving numerous interlinked variables, and studying these variables to control expression is essential in bioengineering and biomanufacturing. While cloning techniques for achieving plasmid…

Quantitative Methods · Quantitative Biology 2025-01-30 Khushank Singhal , Harry Adamson , Thomas Baer , Howard Salis , Melik Demirel

Due to their chemical and structural diversity, nanoporous materials can be used in a wide variety of applications, including fluid separation, gas storage, heterogeneous catalysis, drug delivery, etc. Given the large and rapidly increasing…

Materials Science · Physics 2022-06-20 Emmanuel Ren , Philippe Guilbaud , François-Xavier Coudert

Microplate-based 'omic studies of large clinical cohorts can massively accelerate biomedical research, but experimental power and veracity may be negatively impacted when plate positional effects confound clinical variables of interest.…

Quantitative Methods · Quantitative Biology 2026-01-09 Avigail Taylor , Micah P. Fletcher

In many high-throughput experimental design settings, such as those common in biochemical engineering, batched queries are more cost effective than one-by-one sequential queries. Furthermore, it is often not possible to directly choose…

Machine Learning · Computer Science 2019-04-18 Kevin K. Yang , Yuxin Chen , Alycia Lee , Yisong Yue

Experiments using multi-step protocols often involve several restrictions on the randomization. For a specific application to in vitro testing on microplates, a design was required with both a split-plot and a strip-plot structure. On top…

Pooling specimens, a well-accepted sampling strategy in biomedical research, can be applied to reduce the cost of studying biomarkers. Even if the cost of a single assay is not a major restriction in evaluating biomarkers, pooling can be a…

Applications · Statistics 2012-03-01 Enrique F. Schisterman , Albert Vexler , Aijun Ye , Neil J. Perkins

The physical size of optical imaging systems is one of the greatest constraints on their use, limiting the performance and deployment of a range of systems from telescopes to mobile phone cameras. Spaceplates are nonlocal optical devices…

Constrained random test generation is one of the most widely adopted methods for generating stimuli for simulation-based verification. Randomness leads to test diversity, but tests tend to repeatedly exercise the same design logic.…

Hardware Architecture · Computer Science 2022-10-18 Nyasha Masamba , Kerstin Eder , Tim Blackmore

High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…

Chemical Physics · Physics 2016-11-22 Sandip De , Felix Musil , Teresa Ingram , Carsten Baldauf , Michele Ceriotti

The combination of high-throughput experimentation techniques and machine learning (ML) has recently ushered in a new era of accelerated material discovery, enabling the identification of materials with cutting-edge properties. However, the…

In the 21st century, many technology fields have become reliant on advancements in process automation. We have seen dramatic growth in areas and industries that have successfully implemented a high level of automation. In drug discovery,…

Computational Physics · Physics 2019-02-12 Mohammad Atif Faiz Afzal , Johannes Hachmann

Context: Combinatorial testing strategies have lately received a lot of attention as a result of their diverse applications. In its simple form, a combinatorial strategy can reduce several input parameters (configurations) of a system into…

Software Engineering · Computer Science 2018-04-23 Bestoun S. Ahmed , Luca M. Gambardella , Wasif Afzal , Kamal Z. Zamli

Fragment-based shape signature techniques have proven to be powerful tools for computer-aided drug design. They allow scientists to search for target molecules with some similarity to a known active compound. They do not require reference…

Artificial Intelligence · Computer Science 2022-01-05 Thierry Petit , Randy J. Zauhar

Large particle sorters have potential applications in sorting microplastics and large biomaterials (>50 micrometer), such as tissues, spheroids, organoids, and embryos. Though great advancements have been made in image-based sorting of…

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