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The thermodynamic and dynamical conditions necessary to observe indefinite growth in homogeneous open chemical reaction networks (CRNs) satisfying mass action kinetics were presented in Srinivas et al. (2023): Unimolecular CRNs can only…

Molecular Networks · Quantitative Biology 2024-12-05 Shesha Gopal Marehalli Srinivas , Francesco Avanzini , Massimiliano Esposito

Chemical reaction networks (CRNs) are directed graphs with reactant or product complexes as vertices, and reactions as arcs. A CRN is weakly reversible if each of its connected components is strongly connected. Weakly reversible networks…

This paper studies the (discrete) \emph{chemical reaction network (CRN)} computational model that emerged in the last two decades as an abstraction for molecular programming. The correctness of CRN protocols is typically established under…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-07-04 Anne Condon , Yuval Emek , Noga Harlev

We present a uniform method for translating an arbitrary nondeterministic finite automaton (NFA) into a deterministic mass action input/output chemical reaction network (I/O CRN) that simulates it. The I/O CRN receives its input as a…

Computational Complexity · Computer Science 2018-12-27 Titus H. Klinge , James I. Lathrop , Jack H. Lutz

Molecular circuits capable of autonomous learning could unlock novel applications in fields such as bioengineering and synthetic biology. To this end, existing chemical implementations of neural computing have mainly relied on emulating…

Machine Learning · Computer Science 2025-09-23 Rajiv Teja Nagipogu , John H. Reif

Molecular computation in chemical reaction networks (CRNs) now constitutes a foundational framework for designing programmable biological systems. However, prevailing design methodologies primarily treat parallelism of chemical reactions as…

Molecular Networks · Quantitative Biology 2025-12-09 Renlei Jiang , Chuanhou Gao , Denis Dochain

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

Across many disciplines, chemical reaction networks (CRNs) are an established population model defined as a system of coupled nonlinear ordinary differential equations. In many applications, for example, in systems biology and epidemiology,…

Systems and Control · Electrical Eng. & Systems 2023-01-23 Kim G. Larsen , Daniele Toller , Mirco Tribastone , Max Tschaikowski , Andrea Vandin

Reaction networks (RNs) comprise a set $X$ of species and a set $\mathscr{R}$ of reactions $Y\to Y'$, each converting a multiset of educts $Y\subseteq X$ into a multiset $Y'\subseteq X$ of products. RNs are equivalent to directed…

Molecular Networks · Quantitative Biology 2022-01-06 Stefan Müller , Christoph Flamm , Peter F. Stadler

Chemical reaction networks (CRNs) are fundamental computational models used to study the behavior of chemical reactions in well-mixed solutions. They have been used extensively to model a broad range of biological systems, and are primarily…

Molecular Networks · Quantitative Biology 2021-05-13 J. N. Mueller , J. N. Corcoran

The study of Chemical Reaction Networks (CRN's) is a very active field. Earlier well-known results \cite{Feinberg:def_01:87, Anderson:product_dist:10} identify a topological quantity called deficiency, for any CRN, which, when exactly equal…

Statistical Mechanics · Physics 2017-10-11 Supriya Krishnamurthy , Eric Smith

The catalytic reaction system (CRS) formalism by Hordijk and Steel is a versatile method to model autocatalytic biochemical reaction networks. It is particularly suited, and has been widely used, to study self-sustainment and…

Molecular Networks · Quantitative Biology 2023-08-16 Dimitri Loutchko

Stochastic Reaction Networks (SRNs) are a fundamental modeling framework for systems ranging from chemical kinetics and epidemiology to ecological and synthetic biological processes. A central computational challenge is the estimation of…

Molecular Networks · Quantitative Biology 2025-12-09 Quentin Badolle , Arthur Theuer , Zhou Fang , Ankit Gupta , Mustafa Khammash

Step Chemical Reaction Networks (step CRNs) are an augmentation of the Chemical Reaction Network (CRN) model where additional species may be introduced to the system in a sequence of ``steps.'' We study step CRN systems using a weak subset…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-03 Rachel Anderson , Bin Fu , Aiden Massie , Gourab Mukhopadhyay , Adrian Salinas , Robert Schweller , Evan Tomai , Tim Wylie

We consider how to generate chemical reaction networks (CRNs) from functional specifications. We propose a two-stage approach that combines synthesis by satisfiability modulo theories and Markov chain Monte Carlo based optimisation. First,…

Emerging Technologies · Computer Science 2015-08-19 Neil Dalchau , Niall Murphy , Rasmus Petersen , Boyan Yordanov

We identify the thermodynamic conditions necessary to observe indefinite growth in homogeneous open chemical reaction networks (CRNs) satisfying mass action kinetics. We also characterize the thermodynamic efficiency of growth by…

Molecular Networks · Quantitative Biology 2024-12-05 Shesha Gopal Marehalli Srinivas , Francesco Avanzini , Massimiliano Esposito

Chemical reaction networks (CRNs) model the behavior of chemical reactions in well-mixed solutions and they can be designed to perform computations. In this tutorial we give an overview of various computational models for CRNs. Moreover, we…

Emerging Technologies · Computer Science 2018-11-27 Robert Brijder

It is useful to have complete lists of nonisomorphic chemical reaction networks (CRNs) of a given size, with or without various restrictions. One may, for example, be interested in exploring how often certain dynamical behaviours occur in…

Molecular Networks · Quantitative Biology 2017-06-01 Murad Banaji

Deep neural networks typically treat nonlinearities as fixed primitives (e.g., ReLU), limiting both interpretability and the granularity of control over the induced function class. While recent additive models (like KANs) attempt to address…

Machine Learning · Computer Science 2026-02-05 Jusheng Zhang , Ningyuan Liu , Qinhan Lyu , Jing Yang , Keze Wang

Chemical reaction networks (CRN) comprise an important class of models to understand biological functions such as cellular information processing, the robustness and control of metabolic pathways, circadian rhythms, and many more. However,…

Molecular Networks · Quantitative Biology 2025-03-25 Dimitri Loutchko , Yuki Sughiyama , Tetsuya J. Kobayashi