DOI: 10.1016/j.compchemeng.2008.01.007. A domain-specific compiler theory based framework for automated reaction network generation

A domain-specific compiler theory based framework for automated reaction network generation

10.1016/j.compchemeng.2008.01.007

Crossref journal-article

Elsevier BV

Computers & Chemical Engineering (78)

Bibliography

Hsu, S.-H., Krishnamurthy, B., Rao, P., Zhao, C., Jagannathan, S., & Venkatasubramanian, V. (2008). A domain-specific compiler theory based framework for automated reaction network generation. Computers & Chemical Engineering, 32(10), 2455â2470.

Authors 6

Shuo-Huan Hsu (first)
Balachandra Krishnamurthy (additional)
Prathima Rao (additional)
Chunhua Zhao (additional)
Suresh Jagannathan (additional)
Venkat Venkatasubramanian (additional)

References 19 Referenced 11

{'key': '10.1016/j.compchemeng.2008.01.007_bib1', 'series-title': 'Modern compiler implementation in C', 'author': 'Appel', 'year': '1998'} / Modern compiler implementation in C by Appel (1998)
10.1016/j.jcat.2005.07.005 / Journal of Catalysis / Microkinetic modeling of propane aromatization over HZSM-5 by Bhan (2005)
10.1016/j.compchemeng.2007.04.008 / Computers and Chemical Engineering / High fidelity mathematical model building with experimental data: A Bayesian approach by Blau (2008)
10.1021/ie00028a003 / Industrial and Engineering Chemistry Research / Computer generated pyrolysis modeling: On-the-fly generation of species, reactions, and rates by Broadbelt (1994)
10.1021/ie990608k / Industrial and Engineering Chemistry Research / Computer generation of reaction mechanisms using quantitative rate information: Application to long-chain hydrocarbon pyrolysis by De Witt (2000)
{'key': '10.1016/j.compchemeng.2008.01.007_bib6', 'series-title': 'The microkinetics of heterogeneous catalysis', 'author': 'Dumestic', 'year': '1993'} / The microkinetics of heterogeneous catalysis by Dumestic (1993)
10.1021/ci00001a017 / Journal of Chemical Information and Computer Science / The generation of reaction networks with RAIN, 1. The reaction generator by Fontain (1991)
10.1021/ci00068a023 / Journal of Chemical Information and Computer Science / Building and refining a knowledge base for synthetic organic chemistry via the methodology of inductive and deductive machine learning by Gelernter (1990)
10.1016/S0003-2670(00)82066-8 / Analytica Chimica Acta / The SYNGEN approach to synthesis design by Hendrickson (1990)
{'key': '10.1016/j.compchemeng.2008.01.007_bib10', 'series-title': '16th European symposium on computer aided process engineering and 9th international symposium on Process Systems Engineering (PSE’2006/ESCAPE-16)', 'first-page': '973', 'article-title': 'A systematic approach for automated reaction network generation', 'author': 'Hsu', 'year': '2006'} / 16th European symposium on computer aided process engineering and 9th international symposium on Process Systems Engineering (PSE’2006/ESCAPE-16) / A systematic approach for automated reaction network generation by Hsu (2006)
10.1021/ie034067h / Industrial and Engineering Chemistry Research / An intelligent system for reaction kinetic modeling and catalyst design by Katare (2004)
10.1016/S0098-1354(97)00002-1 / Computers and Chemical Engineering / Construction of complex reaction systems—I. Reaction description language by Prickett (1997)
10.1021/ci00030a010 / Journal of Chemical Information and Computer Science / Computer-assisted mechanistic evaluation of organic reactions. 2. Perception of rings, aromaticity, and tautomers by Roos-Kozel (1981)
10.1002/anie.199302011 / Angewandte Chemie International Edition in English / Computer-assisted solution of chemical problems—The historical development and present state of the art of a new discipline of chemistry by Ugi (1993)
10.1021/ci00017a001 / Journal of Chemical Information and Computer Science / Models, concepts, theories, and formal languages in chemistry and their use as a basis for computer assistance in chemistry by Ugi (1994)
10.1016/S0003-2670(00)82070-X / Analytica Chimica Acta / Transparent formal methods for reducing the combinatorial abundance of conceivable solutions to a chemical problem: Computer-assisted elucidation of complex reaction mechanisms by Ugi (1990)
10.1002/jcc.540130906 / Journal of Computational Chemistry / Algorithm to generate reaction pathways for computer-assisted elucidation by Valdes-Perez (1992)
10.1021/ci00057a005 / Journal of Chemical Information and Computer Science / SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules by Weinenger (1988)
10.1021/ci00062a008 / Journal of Chemical Information and Computer Science / SMILES. 2. Algorithm for generation of unique SMILES notation by Weinenger (1989)

Dates

Type	When
Created	17 years, 6 months ago (Feb. 14, 2008, 4:23 a.m.)
Deposited	6 years, 7 months ago (Dec. 31, 2018, 9:21 a.m.)
Indexed	9 months ago (Nov. 19, 2024, 11:11 a.m.)
Issued	16 years, 10 months ago (Oct. 1, 2008)
Published	16 years, 10 months ago (Oct. 1, 2008)
Published Print	16 years, 10 months ago (Oct. 1, 2008)

Funders 0

None

BibTeX

@article{Hsu_2008, title={A domain-specific compiler theory based framework for automated reaction network generation}, volume={32}, ISSN={0098-1354}, url={http://dx.doi.org/10.1016/j.compchemeng.2008.01.007}, DOI={10.1016/j.compchemeng.2008.01.007}, number={10}, journal={Computers & Chemical Engineering}, publisher={Elsevier BV}, author={Hsu, Shuo-Huan and Krishnamurthy, Balachandra and Rao, Prathima and Zhao, Chunhua and Jagannathan, Suresh and Venkatasubramanian, Venkat}, year={2008}, month=oct, pages={2455–2470} }

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