Background: Computational models in biology are characterized by a large degree of uncertainty. This uncertainty can be analyzed with Bayesian statistics, however, the sampling algorithms that are frequently used for calculating Bayesian statistical estimates are computationally demanding, and each algorithm has unique advantages and disadvantages. It is typically unclear, before starting an analysis, which algorithm will perform well on a given computational model.
Results: We present BCM, a toolkit for the Bayesian analysis of Computational Models using samplers. It provides efficient, multithreaded implementations of eleven algorithms for sampling from posterior probability distributions and for calculating marginal likelihoods. BCM includes tools to simplify the process of model specification and scripts for visualizing the results. The flexible architecture allows it to be used on diverse types of biological computational models. In an example inference task using a model of the cell cycle based on ordinary differential equations, BCM is significantly more efficient than existing software packages, allowing more challenging inference problems to be solved.
Conclusions: BCM represents an efficient one-stop-shop for computational modelers wishing to use sampler-based Bayesian statistics.
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http://dx.doi.org/10.1186/s12918-016-0339-3 | DOI Listing |
Health Phys
January 2025
Nuclear Medicine and Molecular Imaging Sciences Program, Department of Clinical & Diagnostic Sciences, School of Health Professions, University of Alabama at Birmingham, Birmingham, AL.
Ionizing radiation on the skin has the potential to cause various sequelae affecting quality of life and even leading to death due to multi-system failure. The development of radiation dermatitis is attributed to oxidative damage to the skin's basal layer and alterations in immune response, leading to inflammation. Past studies have shown that [18F]F-2-fluoro-2-deoxyglucose positron emission tomography-computed tomography ([18F]F-FDG PET/CT) can be used effectively for the detection of inflammatory activity, especially in conditions like hidradenitis suppurativa, psoriasis, and early atherosclerosis.
View Article and Find Full Text PDFDevelopment
January 2025
Department of Botany and Plant Pathology, Purdue University, West Lafayette, IN 47907, USA.
Land plants alternate between asexual sporophytes and sexual gametophytes. Unlike seed plants, ferns develop free-living gametophytes. Gametophytes of the model fern Ceratopteris exhibit two sex types: hermaphrodites with pluripotent meristems and males lacking meristems.
View Article and Find Full Text PDFBiometrics
January 2025
Department of Statistics and Data Science, National University of Singapore, Singapore 117546, Singapore.
Pharmacogenomics stands as a pivotal driver toward personalized medicine, aiming to optimize drug efficacy while minimizing adverse effects by uncovering the impact of genetic variations on inter-individual outcome variability. Despite its promise, the intricate landscape of drug metabolism introduces complexity, where the correlation between drug response and genes can be shaped by numerous nongenetic factors, often exhibiting heterogeneity across diverse subpopulations. This challenge is particularly pronounced in datasets such as the International Warfarin Pharmacogenetic Consortium (IWPC), which encompasses diverse patient information from multiple nations.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Departamento de Química, Facultad de Ciencias, Universidad de Chile, P. O. Box 653, Las Palmeras 3425, Ñuñoa, Santiago, Chile.
In this study, we focused on the mechanism of the electrocatalytic oxidation of thiocyanate, which in traditional electrodes typically requires high overpotentials. As models for reducing these overpotentials and catalyzing the reaction, we used a set of modified cobalt phthalocyanines (CoPc), known as electrocatalysts. Using DFT calculations, we explored how modifications to CoPc by adding electron-donating and withdrawing groups and the coordination of 4-amino thiophenol impact the oxidation process.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Department of Chemistry, National Chung Hsing University, Taichung 402, Taiwan.
Recent photolysis experiments with formic acid suggest that the roaming mechanism is a significant CO-forming pathway at a photolysis energy of 230 nm. While previous computational studies have identified multiple dissociation pathways for CO-forming channels, the dynamic features of these pathways remain poorly understood. This study investigates the dissociation dynamics of the CO + HO and CO + H channels in the ground state (S) of formic acid using direct dynamics simulation and the generalized multi-center impulsive model (GMCIM) at 230 nm.
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