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Computational techniques are required for narrowing down the vast space of possibilities to plausible prebiotic scenarios, since precise information on the molecular composition, the dominant reaction chemistry, and the conditions for that…

Molecular Networks · Quantitative Biology 2018-02-07 Jakob L. Andersen , Christoph Flamm , Daniel Merkle , Peter F. Stadler

The metabolism is the motor behind the biological complexity of an organism. One problem of characterizing its large-scale structure is that it is hard to know what to compare it to. All chemical reaction systems are shaped by the same…

Molecular Networks · Quantitative Biology 2011-05-10 Petter Holme , Mikael Huss , Sang Hoon Lee

To what extent do the characteristic features of a chemical reaction network reflect its purpose and function? In general, one argues that correlations between specific features and specific functions are key to understanding a complex…

Statistical Mechanics · Physics 2012-03-22 Sang Hoon Lee , Sebastian Bernhardsson , Petter Holme , Beom Jun Kim , Petter Minnhagen

Many biological decision-making processes can be viewed as performing a classification task over a set of inputs, using various chemical and physical processes as "biological hardware." In this context, it is important to understand the…

Disordered Systems and Neural Networks · Physics 2024-09-10 Carlos Floyd , Aaron R. Dinner , Arvind Murugan , Suriyanarayanan Vaikuntanathan

Life relies on a sophisticated metabolic molecular machinery that turns over high-energy molecules to evolve complex macromolecules and assemblies. At the molecular origin of life, such machinery was absent, implying the need for simple yet…

Chemical Physics · Physics 2025-10-14 Pranay Jaiswal , Ivar S. Haugerud , Hidde D. Vuijk , Christoph A. Weber

In living cells, chemical reactions form a complex network. Complicated dynamics arising from such networks are the origins of biological functions. We propose a novel mathematical method to analyze bifurcation behaviors of a reaction…

Molecular Networks · Quantitative Biology 2018-08-08 Takashi Okada , Je-Chiang Tsai , Atsushi Mochizuki

In a molecular communication network, transmitters may encode information in concentration or frequency of signalling molecules. When the signalling molecules reach the receivers, they react, via a set of chemical reactions or a molecular…

Molecular Networks · Quantitative Biology 2020-07-23 Chun Tung Chou

Modern computational chemistry has reached a stage at which massive exploration into chemical reaction space with unprecedented resolution with respect to the number of potentially relevant molecular structures has become possible. Various…

Chemical Physics · Physics 2020-04-27 Jan P. Unsleber , Markus Reiher

Can a micron sized sack of interacting molecules understand, and adapt to a constantly-fluctuating environment? Cellular life provides an existence proof in the affirmative, but the principles that allow for life's existence are far from…

Molecular Networks · Quantitative Biology 2022-05-16 William Poole , Thomas Ouldridge , Manoj Gopalkrishnan , Erik Winfree

Chemical reaction networks describe interactions between biochemical species. Once an underlying reaction network is given for a biochemical system, the system dynamics can be modelled with various mathematical frameworks such as continuous…

Probability · Mathematics 2023-06-22 German Enciso , Radek Erban , Jinsu Kim

Biological regulatory networks depend upon chemical interactions to process information. Engineering such molecular computing systems is a major challenge for synthetic biology and related fields. The chemical reaction network (CRN) model…

Emerging Technologies · Computer Science 2020-09-23 Cameron Chalk , Niels Kornerup , Wyatt Reeves , David Soloveichik

We mathematically prove that chemical reaction networks without hidden layers can solve tasks for which spiking neural networks require hidden layers. Our proof uses the deterministic mass-action kinetics formulation of chemical reaction…

Machine Learning · Computer Science 2026-03-13 Sophie Jaffard , Ivo F. Sbalzarini

Accurately capturing individual differences in semantic networks is fundamental to advancing our mechanistic understanding of semantic memory. Past empirical attempts to construct individual-level semantic networks from behavioral paradigms…

Computation and Language · Computer Science 2024-10-25 Samuel Aeschbach , Rui Mata , Dirk U. Wulff

The automated inference of physically interpretable (bio)chemical reaction network models from measured experimental data is a challenging problem whose solution has significant commercial and academic ramifications. It is demonstrated,…

Neural and Evolutionary Computing · Computer Science 2014-12-22 Dominic P. Searson , Mark J. Willis , Allen Wright

Here we focus on the challenge of verifying the correctness of molecular implementations of abstract chemical reaction networks, where operation in a well-mixed "soup" of molecules is stochastic, asynchronous, concurrent, and often involves…

Computational Engineering, Finance, and Science · Computer Science 2019-10-01 Seung Woo Shin , Chris Thachuk , Erik Winfree

We introduce and study semantic capacity of terms. For example, the semantic capacity of artificial intelligence is higher than that of linear regression since artificial intelligence possesses a broader meaning scope. Understanding…

Computation and Language · Computer Science 2020-10-06 Jie Huang , Zilong Wang , Kevin Chen-Chuan Chang , Wen-mei Hwu , Jinjun Xiong

In this paper, it is presented a methodology for implementing arbitrarily constructed time-homogenous Markov chains with biochemical systems. Not only discrete but also continuous-time Markov chains are allowed to be computed. By employing…

Molecular Networks · Quantitative Biology 2018-02-16 Chuan Zhang , Ziyuan Shen , Wei Wei , Jing Zhao , Zaichen Zhang , Xiaohu You

Chemical reaction networks (CRNs) formally model chemistry in a well-mixed solution. CRNs are widely used to describe information processing occurring in natural cellular regulatory networks, and with upcoming advances in synthetic biology,…

Computational Complexity · Computer Science 2013-04-17 David Doty

In living cells, biochemical reactions are catalyzed by specific enzymes and connect to one another by sharing substrates and products, forming complex networks. In our previous studies, we established a framework determining the responses…

Molecular Networks · Quantitative Biology 2017-09-06 Takashi Okada , Atsushi Mochizuki

A detailed understanding of biochemical networks at the molecular level is essential for studying complex cellular processes. In this paper, we provide a comprehensive description of biochemical networks by considering individual atoms and…

Molecular Networks · Quantitative Biology 2025-04-08 Hadjar Rahou , Hulda S. Haraldsdottir , Filippo Martinelli , Ines Thiele , Ronan M. T. Fleming
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