Language-oriented rule-based reaction network generation and analysis: Algorithms of RING

S Rangarajan, T Kaminski, E Van Wyk, A Bhan… - Computers & Chemical …, 2014 - Elsevier
… in detail the underlying algorithms and techniques for the other modules in RING. In Section
3… -interface for RING is discussed. Section 4.1 lays out the algorithm for identifying pathways …

Language-oriented rule-based reaction network generation and analysis: Description of RING

S Rangarajan, A Bhan, P Daoutidis - Computers & chemical engineering, 2012 - Elsevier
summary, RING is a network generation and analysis tool developed using Cheminformatics
and graph theoretical algorithms. … -like reaction language, a reaction network generator that …

Language-oriented rule-based reaction network generation and analysis: Applications of RING

S Rangarajan, A Bhan, P Daoutidis - Computers & chemical engineering, 2012 - Elsevier
… how network generation and topological analysis features of RING can be applied together
to analyze three broad classes of problems arising in complex thermochemical networks. …

Automated network generation and analysis of biochemical reaction pathways using RING

U Gupta, T Le, WS Hu, A Bhan, P Daoutidis - Metabolic engineering, 2018 - Elsevier
networks in a rule-based manner, (2) generating graphical representations of … analysis of
biochemical reaction networks. Specifically, we employ RING to elucidate the reaction network

[PDF][PDF] Combined rate and rule-based automatic kinetic model

J Aernoudt - libstore.ugent.be
… , many insignificant species and reactions are added to the reaction network. These species
… model builders such as CASB, COMGEN, RING and Genesys. The constraints are based on …

Machine Learning and Informatics Based Elucidation of Reaction Pathways for Upcycling Model Polyolefin to Aromatics

CF Chang, S Rangarajan - The Journal of Physical Chemistry A, 2023 - ACS Publications
… informatics-based reaction network generation and machine … We applied RING to generate
an exhaustive network of … two reactions of the same rule based on their reaction energetics (…

[HTML][HTML] A review of automated and data-driven approaches for pathway determination and reaction monitoring in complex chemical systems

A Puliyanda, K Srinivasan, K Sivaramakrishnan… - Digital Chemical …, 2022 - Elsevier
Rule-based expert systems: The basic idea behind a rule-based expert system is to develop
a reaction network though recursive application of a set of encoded reaction rules to a set of …

Challenges and opportunities for molecule-based management of chemical processes

R Van de Vijver, BR Devocht, KM Van Geem… - Current Opinion in …, 2016 - Elsevier
… Automatic reaction network generation is the search for all … The kinetic model generation
tools Genesys [5] and RING [7] have … Rule-based termination relies on user expertise by the …

Reaction mechanism generator v3. 0: advances in automatic mechanism generation

M Liu, A Grinberg Dana, MS Johnson… - Journal of Chemical …, 2021 - ACS Publications
… A previous limitation of the group additivity algorithm was that ringalgorithm was developed
to provide an estimate for the ring strain of any molecule based on a heuristic algorithm

Explicit molecule-based reaction network simplification: Theory and application on catalytic reforming

Z Chen, Y Wang, Y Li, J Wu, L Zhang - Chemical Engineering Science, 2023 - Elsevier
… of a complex reaction network, this work proposed a reaction network simplification algorithm.
… The rank-based and rule-based methods can effectively reduce reaction network size and …