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Chemical systems are interpreted through the species they contain and the reactions they may undergo, i.e., their chemical reaction network (CRN). In spite of their central importance to chemistry, the structure of CRNs continues to be…

统计力学 · 物理学 2025-06-17 Alex Blokhuis , Martijn van Kuppeveld , Daan van de Weem , Robert Pollice

We explore the range of probabilistic behaviours that can be engineered with Chemical Reaction Networks (CRNs). We show that at steady state CRNs are able to "program" any distribution with finite support in $\mathbb{N}^m$, with $m \geq 1$.…

分布式、并行与集群计算 · 计算机科学 2018-04-25 Luca Cardelli , Marta Kwiatkowska , Luca Laurenti

Continuous time Markov chains are commonly used as models for the stochastic behavior of chemical reaction networks. More precisely, these Stochastic Chemical Reaction Networks (SCRNs) are frequently used to gain a mechanistic understanding…

We present a differentiable formulation of abstract chemical reaction networks (CRNs) that can be trained to solve a variety of computational tasks. Chemical reaction networks are one of the most fundamental computational substrates used by…

分子网络 · 定量生物学 2023-02-07 Alexander Mordvintsev , Ettore Randazzo , Eyvind Niklasson

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…

分子网络 · 定量生物学 2017-06-01 Murad Banaji

Motivation: A Chemical Reaction Network (CRN) is a set of chemical reactions, which can be very complex and difficult to analyze. Indeed, dynamical properties of CRNs can be described by a set of non-linear differential equations that…

计算工程、金融与科学 · 计算机科学 2021-07-02 Lucia Nasti , Roberta Gori , Paolo Milazzo , Federico Poloni

We propose a direct optimization framework for learning reduced and sparse chemical reaction networks (CRNs) from time-series trajectory data. In contrast to widely used indirect methods-such as those based on sparse identification of…

分子网络 · 定量生物学 2025-08-27 Maurice Filo , Mustafa Khammash

Chemical reactions occur in energy, environmental, biological, and many other natural systems, and the inference of the reaction networks is essential to understand and design the chemical processes in engineering and life sciences. Yet,…

分子网络 · 定量生物学 2021-01-22 Weiqi Ji , Sili Deng

Artificial neural networks (NNs) can be implemented using chemical reaction networks (CRNs), where the concentrations of species act as inputs and outputs. In such biochemical computing, noise-robust computing is crucial due to the…

分子网络 · 定量生物学 2024-10-17 Sunghwa Kang , Jinsu Kim

An algorithm is given in this paper for the computation of dynamically equivalent weakly reversible realizations with the maximal number of reactions, for chemical reaction networks (CRNs) with mass action kinetics.

动力系统 · 数学 2015-03-19 Gabor Szederkenyi , Katalin M. Hangos , Zsolt Tuza

While the field of first-principles explorations into chemical reaction space has been continuously growing, the development of strategies for analyzing resulting chemical reaction networks (CRNs) is lagging behind. A CRN consists of…

化学物理 · 物理学 2022-12-19 Paul L. Türtscher , Markus Reiher

Molecular computation based on chemical reaction networks (CRNs) has emerged as a promising paradigm for designing programmable biochemical systems. However, the implementation of complex computations still requires excessively large and…

分子网络 · 定量生物学 2025-06-17 Renlei Jiang , Yuzhen Fan , Di Fan , Chuanhou Gao , Denis Dochain

Power law dynamics is used to describe the stability behavior in metabolic networks such as chemical reaction networks (CRN's). These systems allow multiple steady states within a single stoichiometric class. On the other side thermodynamic…

动力系统 · 数学 2020-07-10 Gunther Friedrich Neumann

The interaction of phase-separating systems with chemical reactions is of great interest in various contexts, from biology to material science. In biology, phase separation is thought to be the driving force behind the formation of…

软凝聚态物质 · 物理学 2026-01-08 Franco Blanchini , Elisa Franco , Giulia Giordano , Dino Osmanovic

The chemical reaction network (CRN) is a widely used formalism to describe macroscopic behavior of chemical systems. Available tools for CRN modelling and simulation require local access, installation, and often involve local file storage,…

计算工程、金融与科学 · 计算机科学 2015-12-07 Peter Banda , Drew Blount , Christof Teuscher

Many important phenomena in biochemistry and biology exploit dynamical features such as multi-stability, oscillations, and chaos. Construction of novel chemical systems with such rich dynamics is a challenging problem central to the fields…

分子网络 · 定量生物学 2026-05-04 Alexander Dack , Benjamin Qureshi , Thomas E. Ouldridge , Tomislav Plesa

This paired article aims to develop an automated and programmable biochemical fully connected neural network (BFCNN) with solid theoretical support. In Part I, a concrete design for BFCNN is presented, along with the validation of the…

动力系统 · 数学 2024-01-17 Yuzhen Fan , Xiaoyu Zhang , Chuanhou Gao , Denis Dochain

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…

分子网络 · 定量生物学 2018-02-16 Chuan Zhang , Ziyuan Shen , Wei Wei , Jing Zhao , Zaichen Zhang , Xiaohu You

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…

分子网络 · 定量生物学 2024-12-05 Shesha Gopal Marehalli Srinivas , Francesco Avanzini , Massimiliano Esposito

Inspired by Anderson et al. [J. R. Soc. Interface, 2014] we study the long-term behavior of discrete chemical reaction networks (CRNs). In particular, using techniques from both Petri net theory and CRN theory, we provide a powerful…

分布式、并行与集群计算 · 计算机科学 2015-06-16 Robert Brijder