메뉴 건너뛰기




Volumn 46, Issue , 2012, Pages 141-152

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

Author keywords

Mechanism elucidation; Mechanism hypothesis testing; Pathway analysis; Reaction network analysis; Rule based network generation; Synthesis routes prediction

Indexed keywords

HYPOTHESIS TESTING; NETWORK GENERATION; PATHWAY ANALYSIS; REACTION NETWORK ANALYSIS; SYNTHESIS ROUTE;

EID: 84864500476     PISSN: 00981354     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compchemeng.2012.06.003     Document Type: Article
Times cited : (36)

References (22)
  • 2
    • 24944499257 scopus 로고    scopus 로고
    • Lexicography of kinetic modeling of complex reaction networks
    • Broadbelt L.J., Pfaendtner J. Lexicography of kinetic modeling of complex reaction networks. AIChE Journal 2005, 51(8):2112-2121.
    • (2005) AIChE Journal , vol.51 , Issue.8 , pp. 2112-2121
    • Broadbelt, L.J.1    Pfaendtner, J.2
  • 3
    • 0028410110 scopus 로고
    • Computer-generated pyrolysis modeling - On the fly generation of species, reactions and rates
    • Broadbelt L.J., Stark S.M., Klein M.T. Computer-generated pyrolysis modeling - On the fly generation of species, reactions and rates. Industrial & Engineering Chemistry Research 1994, 33(4):790-799.
    • (1994) Industrial & Engineering Chemistry Research , vol.33 , Issue.4 , pp. 790-799
    • Broadbelt, L.J.1    Stark, S.M.2    Klein, M.T.3
  • 4
    • 0001701753 scopus 로고    scopus 로고
    • Mechanistic considerations in acid-catalyzed cracking of olefins
    • Buchanan J.S., Santiesteban J.G., Haag W.O. Mechanistic considerations in acid-catalyzed cracking of olefins. Journal of Catalysis 1996, 158(1):279-287.
    • (1996) Journal of Catalysis , vol.158 , Issue.1 , pp. 279-287
    • Buchanan, J.S.1    Santiesteban, J.G.2    Haag, W.O.3
  • 5
    • 33751225971 scopus 로고    scopus 로고
    • Site requirements and elementary steps in dimethyl ether carbonylation by acidic zeolites
    • Cheung P., Bhan A., Sunley G.J., Law D.J., Iglesia E. Site requirements and elementary steps in dimethyl ether carbonylation by acidic zeolites. Journal of Catalysis 2007, 245:110-123.
    • (2007) Journal of Catalysis , vol.245 , pp. 110-123
    • Cheung, P.1    Bhan, A.2    Sunley, G.J.3    Law, D.J.4    Iglesia, E.5
  • 6
    • 44749085034 scopus 로고    scopus 로고
    • Biomass to chemicals: Catalytic conversion of glycerol/water mixtures into acrolein, reaction network
    • Corma A., Huber G.W., Sauvanaud L., O'Connor P. Biomass to chemicals: Catalytic conversion of glycerol/water mixtures into acrolein, reaction network. Journal of Catalysis 2008, 257:163-171.
    • (2008) Journal of Catalysis , vol.257 , pp. 163-171
    • Corma, A.1    Huber, G.W.2    Sauvanaud, L.3    O'Connor, P.4
  • 7
    • 45149111660 scopus 로고    scopus 로고
    • The growing scope of applications of genome-scale metabolic reconstructions using Escherichia coli
    • Feist A.M., Palsson B.O. The growing scope of applications of genome-scale metabolic reconstructions using Escherichia coli. Nature Biotechnology 2008, 26:659-667.
    • (2008) Nature Biotechnology , vol.26 , pp. 659-667
    • Feist, A.M.1    Palsson, B.O.2
  • 9
    • 49649102431 scopus 로고    scopus 로고
    • Kinetic modeling of large-scale reaction systems
    • Ho T.C. Kinetic modeling of large-scale reaction systems. Catalysis Reviews 2008, 50(3):287-378.
    • (2008) Catalysis Reviews , vol.50 , Issue.3 , pp. 287-378
    • Ho, T.C.1
  • 11
    • 0742322610 scopus 로고    scopus 로고
    • DFT-based reaction pathway analysis of hexadiene cyclization via carbenium ion interemediates: Mechanistic study of light alkane aromatization catalysis
    • Joshi Y.V., Bhan A., Thomson K.T. DFT-based reaction pathway analysis of hexadiene cyclization via carbenium ion interemediates: Mechanistic study of light alkane aromatization catalysis. Journal of Physical Chemistry B 2004, 108(3):971-980.
    • (2004) Journal of Physical Chemistry B , vol.108 , Issue.3 , pp. 971-980
    • Joshi, Y.V.1    Bhan, A.2    Thomson, K.T.3
  • 13
    • 0003129144 scopus 로고    scopus 로고
    • A quantum-chemical study of hydride transfer in catalytic transformations of paraffins on zeolites. Pathways through adsorbed nonclassical carbenium ions
    • Kazansky V.B., Frash M.V., Van Santen R.A. A quantum-chemical study of hydride transfer in catalytic transformations of paraffins on zeolites. Pathways through adsorbed nonclassical carbenium ions. Catalysis Letters 1997, 48(1-2):61-67.
    • (1997) Catalysis Letters , vol.48 , Issue.1-2 , pp. 61-67
    • Kazansky, V.B.1    Frash, M.V.2    Van Santen, R.A.3
  • 14
    • 0000860258 scopus 로고    scopus 로고
    • A quantum-chemical study of hydride transfer in catalytic transformations of paraffins on zeolites
    • Kazansky V.B., Frash M.V., Van Santen R.A. A quantum-chemical study of hydride transfer in catalytic transformations of paraffins on zeolites. Studies in Surface Science and Catalysis 1997, 105:2283-2290.
    • (1997) Studies in Surface Science and Catalysis , vol.105 , pp. 2283-2290
    • Kazansky, V.B.1    Frash, M.V.2    Van Santen, R.A.3
  • 18
    • 0031554860 scopus 로고    scopus 로고
    • Construction of complex reaction systems. 2. Molecule manipulation and reaction application algorithms
    • Prickett S.E., Mavrovouniotis M.L. Construction of complex reaction systems. 2. Molecule manipulation and reaction application algorithms. Computers & Chemical Engineering 1997, 21(11):1237-1254.
    • (1997) Computers & Chemical Engineering , vol.21 , Issue.11 , pp. 1237-1254
    • Prickett, S.E.1    Mavrovouniotis, M.L.2
  • 20
    • 84863473783 scopus 로고    scopus 로고
    • Language-oriented rule-based network generation and analysis: Description of RING
    • in press. doi:10.1016/j.compchemeng.2012.06.008
    • Rangarajan, S., Bhan, A., & Daoutidis, P. Language-oriented rule-based network generation and analysis: Description of RING, Computers & Chemical Engineering, , in press. doi:10.1016/j.compchemeng.2012.06.008.
    • Computers & Chemical Engineering
    • Rangarajan, S.1    Bhan, A.2    Daoutidis, P.3
  • 22
    • 0023965741 scopus 로고
    • SMILES, a chemical language and information systems. 1. Introduction to methodology and encoding rules
    • Weininger D. SMILES, a chemical language and information systems. 1. Introduction to methodology and encoding rules. Journal of Chemical Information and Computer Sciences 1988, 28(1):31-36.
    • (1988) Journal of Chemical Information and Computer Sciences , vol.28 , Issue.1 , pp. 31-36
    • Weininger, D.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.