Species-Reaction Graph Foundations

Foundations of Chemical Reaction Network Theory - Applied Mathematical Sciences ◽

10.1007/978-3-030-03858-8_19 ◽

2019 ◽

pp. 419-440

Author(s):

Martin Feinberg

Keyword(s):

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STRUCTURE-REACTIVITY RELATIONSHIP IN DIELS-ALDER REACTIONS OBTAINED USING THE CONDENSED REACTION GRAPH APPROACH

Журнал структурной химии ◽

10.15372/jsc20170402 ◽

2017 ◽

Keyword(s):

Diels Alder ◽

Reaction Graph ◽

Structure Reactivity Relationship

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Description of organic reactions based on imaginary transition structures. 3. Classification of one-string reactions having an odd-membered cyclic reaction graph

Journal of Chemical Information and Modeling ◽

10.1021/ci00052a011 ◽

1986 ◽

Vol 26 (4) ◽

pp. 224-230 ◽

Author(s):

Shinsaku Fujita

Keyword(s):

Organic Reactions ◽

Reaction Graph ◽

Transition Structures ◽

Cyclic Reaction

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Model reduction in chemical dynamics: slow invariant manifolds, singular perturbations, thermodynamic estimates, and analysis of reaction graph

Current Opinion in Chemical Engineering ◽

10.1016/j.coche.2018.02.009 ◽

2018 ◽

Vol 21 ◽

pp. 48-59 ◽

Author(s):

AN Gorban

Keyword(s):

Model Reduction ◽

Singular Perturbations ◽

Invariant Manifolds ◽

Chemical Dynamics ◽

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Concordant chemical reaction networks and the Species-Reaction Graph

Mathematical Biosciences ◽

10.1016/j.mbs.2012.08.002 ◽

2013 ◽

Vol 241 (1) ◽

pp. 1-23 ◽

Author(s):

Guy Shinar ◽

Martin Feinberg

Keyword(s):

Chemical Reaction ◽

Chemical Reaction Networks ◽

Reaction Networks ◽

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Multiple Equilibria in Complex Chemical Reaction Networks: II. The Species-Reaction Graph

SIAM Journal on Applied Mathematics ◽

10.1137/050634177 ◽

2006 ◽

Vol 66 (4) ◽

pp. 1321-1338 ◽

Author(s):

Gheorghe Craciun ◽

Martin Feinberg

Keyword(s):

Chemical Reaction ◽

Multiple Equilibria ◽

Chemical Reaction Networks ◽

Reaction Networks ◽

Reaction Graph ◽

Complex Chemical ◽

Complex Chemical Reaction

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Errata. Description of Organic Reactions Based on Imaginary Transition Structures. 2. Classification of One-String Reactions Having and Even-Membered Cyclic Reaction Graph

Journal of Chemical Information and Modeling ◽

10.1021/ci00055a603 ◽

1987 ◽

Vol 27 (3) ◽

pp. 146-146

Author(s):

Shinsaku Fujita

Keyword(s):

Organic Reactions ◽

Reaction Graph ◽

Transition Structures ◽

Cyclic Reaction

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Base-catalysed polyalkylation of aliphatic ketones II. Reaction graph for the polymethylation of methylneohexyl ketone.

Tetrahedron Letters ◽

10.1016/s0040-4039(01)88408-2 ◽

1969 ◽

Vol 10 (38) ◽

pp. 3275-3278 ◽

Author(s):

Jacques-Emile Dubois ◽

Annick Panaye

Keyword(s):

Reaction Graph ◽

Aliphatic Ketones

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The reaction graph of the Cope rearrangement in bullvalene

Journal of Mathematical Chemistry ◽

10.1007/bf01277572 ◽

1994 ◽

Vol 15 (1) ◽

pp. 389-395 ◽

Author(s):

J. Brocas

Keyword(s):

Cope Rearrangement ◽

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Description of organic reactions based on imaginary transition structures. 2. Classification of one-string reactions having an even-membered cyclic reaction graph

Journal of Chemical Information and Modeling ◽

10.1021/ci00052a010 ◽

1986 ◽

Vol 26 (4) ◽

pp. 212-223 ◽

Author(s):

Shinsaku Fujita

Keyword(s):

Organic Reactions ◽

Reaction Graph ◽

Transition Structures ◽

Cyclic Reaction

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Reaction graph kernels predict EC numbers of unknown enzymatic reactions in plant secondary metabolism

BMC Bioinformatics ◽

10.1186/1471-2105-11-s1-s31 ◽

2010 ◽

Vol 11 (Suppl 1) ◽

pp. S31 ◽

Author(s):

Hiroto Saigo ◽

Masahiro Hattori ◽

Hisashi Kashima ◽

Koji Tsuda

Keyword(s):

Secondary Metabolism ◽

Enzymatic Reactions ◽

Plant Secondary Metabolism ◽

Reaction Graph ◽

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