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In cancer biomarker development, a key objective is to evaluate whether a new biomarker, when combined with an established one, improves early cancer detection compared to using the established biomarker alone. Incremental value is often…

Methodology · Statistics 2025-11-21 Indrila Ganguly , Ying Huang

The decision tree recursively partitions the input space into regions and derives axis-aligned decision boundaries from data. Despite its simplicity and interpretability, decision trees lack parameterized representation, which makes it…

Machine Learning · Computer Science 2024-11-19 Jinxiong Zhang

Research increasingly relies on computational methods to analyze experimental data and predict molecular properties. Current approaches often require researchers to use a variety of tools for statistical analysis and machine learning,…

Quantitative Methods · Quantitative Biology 2025-12-01 Luke Rimmo Lego , Samantha Gauthier , Denver Jn. Baptiste

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…

Biomolecules · Quantitative Biology 2023-07-10 Jose Gavaldá-Garciá , Bas Stringer , Olga Ivanova , Sanne Abeln , K. Anton Feenstra , Halima Mouhib

Early identification of sensitive cancer cell lines is essential for accelerating biomarker discovery and elucidating drug mechanism of action. Given the efficiency and low cost of small-scale drug screens relative to extensive omics…

Quantitative Methods · Quantitative Biology 2025-10-24 Abbi Abdel-Rehim , Emma Tate , Larisa N. Soldatova , Ross D. King

Artificial intelligence (AI) solutions that automatically extract information from digital histology images have shown great promise for improving pathological diagnosis. Prior to routine use, it is important to evaluate their predictive…

Engineering new molecules with desirable functions and properties has the potential to extend our ability to engineer proteins beyond what nature has so far evolved. Advances in the so-called "de novo" design problem have recently been…

Machine Learning · Computer Science 2023-10-17 Adam Winnifrith , Carlos Outeiral , Brian Hie

High-throughput protein interaction detection methods are strongly affected by false positive and false negative results. Focused experiments are needed to complement the large-scale methods by validating previously detected interactions…

Molecular Networks · Quantitative Biology 2007-05-23 Istvan Albert , Reka Albert

Software is vital for the advancement of biology and medicine. Analysis of usage and impact metrics can help developers determine user and community engagement, justify additional funding, encourage additional use, identify unanticipated…

Data-driven modeling based on Machine Learning (ML) is becoming a central component of protein engineering workflows. This perspective presents the elements necessary to develop effective, reliable, and reproducible ML models, and a set of…

Biomolecules · Quantitative Biology 2025-07-11 Fabio Herrera-Rocha , David Medina-Ortiz , Fabian Mauz , Juergen Pleiss , Mehdi D. Davari

Decision trees, owing to their interpretability, are attractive as control policies for (dynamical) systems. Unfortunately, constructing, or synthesising, such policies is a challenging task. Previous approaches do so by imitating a…

Artificial Intelligence · Computer Science 2025-04-23 Emir Demirović , Christian Schilling , Anna Lukina

Branch is a web application that provides users with no programming with the ability to interact directly with large biomedical datasets. The interaction is mediated through a collaborative graphical user interface for building and…

Applications · Statistics 2016-05-04 Karthik Gangavarapu , Vyshakh Babji , Tobias Meißner , Andrew I. Su , Benjamin M. Good

In this paper, we present BIMS (Biomedical Information Management System). BIMS is a software architecture designed to provide a flexible computational framework to manage the information needs of a wide range of biomedical research…

Software Engineering · Computer Science 2013-03-26 Oscar Mora , Jesús Bisbal

Aim: provide a methodological framework for the process of clinical tests, clinical acceptance, and scientific assessment of algorithms and software based on the artificial intelligence (AI) technologies. Clinical tests are considered as a…

The human connectome at the level of fiber tracts between brain regions has been shown to differ in patients with brain disorders compared to healthy control groups. Nonetheless, there is a potentially large number of different network…

Neurons and Cognition · Quantitative Biology 2013-10-16 Marcus Kaiser

Probabilistic modeling is fundamental to the statistical analysis of complex data. In addition to forming a coherent description of the data-generating process, probabilistic models enable parameter inference about given data sets. This…

Populations and Evolution · Quantitative Biology 2018-05-01 Branden J. Olson , Frederick A. Matsen

Algorithms for machine learning-guided design, or design algorithms, use machine learning-based predictions to propose novel objects with desired property values. Given a new design task -- for example, to design novel proteins with high…

Machine Learning · Computer Science 2025-07-04 Clara Fannjiang , Ji Won Park

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…

The vast amounts of data collected in various domains pose great challenges to modern data exploration and analysis. To find "interesting" objects in large databases, users typically define a query using positive and negative example…

Machine Learning methods have of late made significant efforts to solving multidisciplinary problems in the field of cancer classification using microarray gene expression data. Feature subset selection methods can play an important role in…

Computational Engineering, Finance, and Science · Computer Science 2013-03-04 G. Prat , Ll. Belanche