Results 21 to 30 of about 777,399 (277)
SoftwareX, 2020 Reaction Path Analysis (RPA) is an essential tool in identifying the key reaction pathways that drive chemical transformations of complex reaction networks.
Udit Gupta, Dionisios G. Vlachos
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Asymptotology of chemical reaction networks [PDF]
Chemical Engineering Science, 2010 23 pages, 8 figures, 84 refs, Corrected Journal ...
Gorban, Alexander +2 more
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Advances in Multimedia, 2022 The inspection of some substances usually includes two levels. One is the detection of the physical properties of the substance, which can be carried out through a series of physical detection methods and corresponding physical experiments.
Xihua Chen, Xing Yang
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Leaderless Deterministic Chemical Reaction Networks [PDF]
Natural Computing, 2013 This paper answers an open question of Chen, Doty, and Soloveichik [1], who showed that a function f:N^k --> N^l is deterministically computable by a stochastic chemical reaction network (CRN) if and only if the graph of f is a semilinear subset of N^{k+l}.
Doty, David, Hajiaghayi, Monir
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Journal of Cheminformatics, 2020 In computer-assisted synthesis planning (CASP) programs, providing as many chemical synthetic routes as possible is essential for considering optimal and alternative routes in a chemical reaction network.
Ryosuke Shibukawa +7 more
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Delay Line as a Chemical Reaction Network [PDF]
, 2015 Chemistry as an unconventional computing medium presently lacks a systematic approach to gather, store, and sort data over time. To build more complicated systems in chemistries, the ability to look at data in the past would be a valuable tool to perform
Banda, Peter +2 more
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Families of toric chemical reaction networks [PDF]
Journal of Mathematical Chemistry, 2020 AbstractWe study families of chemical reaction networks whose positive steady states are toric, and therefore can be parameterized by monomials. Families are constructed algorithmically from a core network; we show that if a family member is multistationary, then so are all subsequent networks in the family.
Michael F. Adamer, Martin Helmer
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A network dynamics approach to chemical reaction networks [PDF]
, 2015 A crisp survey is given of chemical reaction networks from the perspective of general nonlinear network dynamics, in particular of consensus dynamics. It is shown how by starting from the complex-balanced assumption the reaction dynamics governed by mass
Jayawardhana, Bayu +2 more
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The Exploration of Chemical Reaction Networks [PDF]
Annual Review of Physical Chemistry, 2020 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 algorithmic advances have shown that such structural screenings must and can be automated and routinely carried ...
Unsleber, Jan P., Reiher, Markus
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A new class of highly efficient exact stochastic simulation algorithms for chemical reaction networks [PDF]
, 2009 We introduce an alternative formulation of the exact stochastic simulation algorithm (SSA) for sampling trajectories of the chemical master equation for a well-stirred system of coupled chemical reactions.
Ivo F. Sbalzarini +3 more
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