메뉴 건너뛰기




Volumn 33, Issue , 2014, Pages 151-156

Structure generation of candidate reactants using signature descriptors

Author keywords

Molecular Design; Reactive Systems; Signature Descriptors

Indexed keywords


EID: 84902981120     PISSN: 15707946     EISSN: None     Source Type: Book Series    
DOI: 10.1016/B978-0-444-63456-6.50026-0     Document Type: Chapter
Times cited : (7)

References (13)
  • 1
    • 0023756127 scopus 로고
    • Use of molecular connectivity indices to estimate soil sorption of organic chemicals
    • Bahnick D.A., Doucette D.J. Use of molecular connectivity indices to estimate soil sorption of organic chemicals. Chemosphere 1988, 17(9):1703-1715.
    • (1988) Chemosphere , vol.17 , Issue.9 , pp. 1703-1715
    • Bahnick, D.A.1    Doucette, D.J.2
  • 3
    • 84878532257 scopus 로고    scopus 로고
    • A Novel Methodology for Property-Based Molecular Design Using Multiple Topological Indices
    • Chemmangattuvalappil N.G., Eden M.R. A Novel Methodology for Property-Based Molecular Design Using Multiple Topological Indices. Industrial and Engineering Chemistry Research 2013, 52:7090-7103.
    • (2013) Industrial and Engineering Chemistry Research , vol.52 , pp. 7090-7103
    • Chemmangattuvalappil, N.G.1    Eden, M.R.2
  • 5
    • 77957899119 scopus 로고    scopus 로고
    • Reverse problem formulation approach to molecular design using property operators based on signature descriptors
    • Chemmangattuvalappil N.G., Solvason C.C., Bommareddy S., Eden M.R. Reverse problem formulation approach to molecular design using property operators based on signature descriptors. Computers and Chemical Engineering 2010, 34(12):2062-2071.
    • (2010) Computers and Chemical Engineering , vol.34 , Issue.12 , pp. 2062-2071
    • Chemmangattuvalappil, N.G.1    Solvason, C.C.2    Bommareddy, S.3    Eden, M.R.4
  • 6
    • 84875946673 scopus 로고    scopus 로고
    • Pushing the Boundaries of Intrinsically Stable Radicals: Inverse Design Using the Thiadiazinyl Radical as a Template
    • De Vleeschouwer F., Chankisjijev A., Yang W., Geerlings P., Proft F.D. Pushing the Boundaries of Intrinsically Stable Radicals: Inverse Design Using the Thiadiazinyl Radical as a Template. Journal of Organic Chemistry 2013, 78(7):3151-3158.
    • (2013) Journal of Organic Chemistry , vol.78 , Issue.7 , pp. 3151-3158
    • De Vleeschouwer, F.1    Chankisjijev, A.2    Yang, W.3    Geerlings, P.4    Proft, F.D.5
  • 10
    • 84972939236 scopus 로고
    • Estimation of Pure-Component Properties from Group-Contributions
    • Joback K.G., Reid R.C. Estimation of Pure-Component Properties from Group-Contributions. Chemical Engineering Communications 1987, 57:233-243.
    • (1987) Chemical Engineering Communications , vol.57 , pp. 233-243
    • Joback, K.G.1    Reid, R.C.2
  • 11
    • 0043287376 scopus 로고
    • Molecular topological index: An application in the QSAR study of toxicity of alcohols
    • Juric A., Gagro M., Nikolic S., Trinajstic N. Molecular topological index: An application in the QSAR study of toxicity of alcohols. Journal of Mathematical Chemistry 1992, 11(1):179-186.
    • (1992) Journal of Mathematical Chemistry , vol.11 , Issue.1 , pp. 179-186
    • Juric, A.1    Gagro, M.2    Nikolic, S.3    Trinajstic, N.4
  • 12
    • 0020462643 scopus 로고
    • Molecular connectivity and acute toxicity of environmental pollutants
    • Koch R. Molecular connectivity and acute toxicity of environmental pollutants. Chemosphere 1982, 11(9):925-931.
    • (1982) Chemosphere , vol.11 , Issue.9 , pp. 925-931
    • Koch, R.1
  • 13
    • 0035387458 scopus 로고    scopus 로고
    • Group-contribution based estimation of pure component properties
    • 184-208
    • Marrero J., Gani R. Group-contribution based estimation of pure component properties. Fluid Phase Equilibria 2001, 183-184. 184-208.
    • (2001) Fluid Phase Equilibria , pp. 183-184
    • Marrero, J.1    Gani, R.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.