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Systems biology models are useful models of complex biological systems that may require a large amount of experimental data to fit each model's parameters or to approximate a likelihood function. These models range from a few to thousands…

Quantitative Methods · Quantitative Biology 2024-07-12 Vincent D. Zaballa , Elliot E. Hui

Computational models are increasingly used in high-impact decision making in science, engineering, and medicine. The National Aeronautics and Space Administration (NASA) uses computational models to perform complex experiments that are…

Molecular Networks · Quantitative Biology 2023-01-18 Lillian T. Tatka , Lucian P. Smith , Joseph L. Hellerstein , Herbert M. Sauro

semanticSBML 2.0 is an online collection of services for the work with biochemical network models in SBML format.

Other Computer Science · Computer Science 2010-12-09 Falko Krause , Marvin Schulz , Timo Lubitz , Wolfram Liebermeister

Artificial intelligence (AI) techniques are widely applied in the life sciences. However, applying innovative AI techniques to understand and deconvolute biological complexity is hindered by the learning curve for life science scientists to…

Artificial Intelligence · Computer Science 2024-03-28 Nisha Pillai , Athish Ram Das , Moses Ayoola , Ganga Gireesan , Bindu Nanduri , Mahalingam Ramkumar

Information processing relying on biochemical interactions in the cellular environment is essential for biological organisms. The implementation of molecular computational systems holds significant interest and potential in the fields of…

Dynamical Systems · Mathematics 2023-12-01 Yuzhen Fan , Xiaoyu Zhang , Chuanhou Gao , Denis Dochain

In this review, we highlight recent developments in the application of machine learning for molecular modeling and simulation. After giving a brief overview of the foundations, components, and workflow of a typical supervised learning…

Data Analysis, Statistics and Probability · Physics 2019-02-21 Mojtaba Haghighatlari , Johannes Hachmann

Computer simulations have become a very powerful tool for scientific research. In order to facilitate research in computational biology, the BioDynaMo project aims at a general platform for biological computer simulations, which should be…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-08-18 Lukas Breitwieser , Roman Bauer , Alberto Di Meglio , Leonard Johard , Marcus Kaiser , Marco Manca , Manuel Mazzara , Fons Rademakers , Max Talanov

We have developed a software MagGene to predict magnetic structures by using genetic algorithm. Starting from an atom structure, MagGene repeatedly generates new magnetic structures and calls first-principles calculation engine to get the…

Materials Science · Physics 2020-10-28 Fawei Zheng , Ping Zhang

We introduce ChemDisGene, a new dataset for training and evaluating multi-class multi-label document-level biomedical relation extraction models. Our dataset contains 80k biomedical research abstracts labeled with mentions of chemicals,…

Computation and Language · Computer Science 2022-04-15 Dongxu Zhang , Sunil Mohan , Michaela Torkar , Andrew McCallum

Genomic alterations lead to cancer complexity and form a major hurdle for a comprehensive understanding of the molecular mechanisms underlying oncogenesis. In this review, we describe the recent advances in studying cancer-associated genes…

Molecular Networks · Quantitative Biology 2007-12-24 Edwin Wang , Anne Lenferink , Maureen O'Connor-McCourt

Summary: Biospectrogam is an open-source software for the spectral analysis of DNA and protein sequences. The software can fetch (from NCBI server), import and manage biological data. One can analyze the data using Digital Signal Processing…

Quantitative Methods · Quantitative Biology 2012-10-05 Naman Turakhia , Nilay Chheda , Manish K. Gupta , Ruchin Shah , Jigar Raisinghani

Antimony is a high-level, human-readable text-based language designed for defining and sharing models in the systems biology community. It enables scientists to describe biochemical networks and systems using a simple and intuitive syntax.…

Quantitative Methods · Quantitative Biology 2024-05-27 Lucian Smith , Herbert M Sauro

Motivation: State-of-the-art biomedical named entity recognition (BioNER) systems often require handcrafted features specific to each entity type, such as genes, chemicals and diseases. Although recent studies explored using neural network…

Information Retrieval · Computer Science 2018-10-09 Xuan Wang , Yu Zhang , Xiang Ren , Yuhao Zhang , Marinka Zitnik , Jingbo Shang , Curtis Langlotz , Jiawei Han

BasisGen is a Python package for the automatic generation of bases of operators in effective field theories. It accepts any semisimple symmetry group and fields in any of its finite dimensional irreducible representations. It takes into…

High Energy Physics - Phenomenology · Physics 2019-05-01 Juan Carlos Criado

The challenge of translating vast, multimodal biological data into predictive and mechanistic understanding of cellular function is a central theme in modern biology. Virtual cells, or digital cellular twins, have emerged as a critical…

Quantitative Methods · Quantitative Biology 2025-09-24 Saurabh Bhardwaj , Gaurav Kumar , Haochen Yang , Shaurya Bhardwaj , Qun Wang , Minjie Shen , Yizhi Wang , Cristabelle Madona De Souza

When designing simulation models, it is favourable to reuse existing models as far as possible to reduce the effort from the first idea to simulation results. Thanks to the OMNeT++ community, there are several toolboxes available covering a…

Software Engineering · Computer Science 2015-09-14 Raphael Riebl , Christian Facchi

Synthetic biology is the engineering of cellular networks. It combines principles of engineering and the knowledge of biological networks to program the behavior of cells. Computational modeling techniques in conjunction with molecular…

Quantitative Methods · Quantitative Biology 2009-02-17 Deepak Chandran , Frank T. Bergmann , Herbert M. Sauro

Generating a novel and optimized molecule with desired chemical properties is an essential part of the drug discovery process. Failure to meet one of the required properties can frequently lead to failure in a clinical test which is costly.…

Machine Learning · Computer Science 2020-10-28 Bonggun Shin , Sungsoo Park , JinYeong Bak , Joyce C. Ho

Whole-cell computational models aim to predict cellular phenotypes from genotype by representing the entire genome, the structure and concentration of each molecular species, each molecular interaction, and the extracellular environment.…

Quantitative Methods · Quantitative Biology 2019-09-05 Arthur P. Goldberg , Balázs Szigeti , Yin Hoon Chew , John A. P. Sekar , Yosef D. Roth , Jonathan R. Karr

One of the major challenges in biology concerns the integration of data across length and time scales into a consistent framework: how do macroscopic properties and functionalities arise from the molecular regulatory networks - and how can…

Computational Engineering, Finance, and Science · Computer Science 2015-10-20 Dagmar Iber , Zahra Karimaddini , Erkan Ünal