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Volumn 412, Issue 12-14, 2011, Pages 1184-1195

Computing bond orders in molecule graphs

Author keywords

Bioinformatics; Bond order assignment; Fixed parameter tractability; FPT; MAX SNP hard; NP hard; Tree decomposition

Indexed keywords

BOND ORDER ASSIGNMENT; FIXED-PARAMETER TRACTABILITY; FPT; MAX SNP-HARD; NP-HARD; TREE DECOMPOSITION;

EID: 79751533664     PISSN: 03043975     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tcs.2010.12.063     Document Type: Article
Times cited : (4)

References (17)
  • 2
    • 0032058198 scopus 로고    scopus 로고
    • Proof Verification and the Hardness of Approximation Problems
    • S. Arora, C. Lund, R. Motwani, M. Sudan, and M. Szegedy Proof verification and the hardness of approximation problems J. ACM 45 3 1998 501 555 (Pubitemid 128506634)
    • (1998) Journal of the ACM , vol.45 , Issue.3 , pp. 501-555
    • Arora, S.1    Lund, C.2    Motwani, R.3    Sudan, M.4    Szegedy, M.5
  • 3
    • 5344264689 scopus 로고
    • Automatic assignment of chemical connectivity to organic molecules in the Cambridge Structural Database
    • J.C. Baber, and E.E. Hodgkin Automatic assignment of chemical connectivity to organic molecules in the Cambridge Structural Database J. Chem. Inf. Model. 32 1992 401 406
    • (1992) J. Chem. Inf. Model. , vol.32 , pp. 401-406
    • Baber, J.C.1    Hodgkin, E.E.2
  • 4
    • 33846820200 scopus 로고    scopus 로고
    • Computational complexity of some restricted instances of 3-SAT
    • DOI 10.1016/j.dam.2006.07.009, PII S0166218X06004677
    • P. Berman, M. Karpinski, and A.D. Scott Computational complexity of some restricted instances of 3-SAT Discrete Appl. Math. 255 2007 649 653 (Pubitemid 46209326)
    • (2007) Discrete Applied Mathematics , vol.155 , Issue.5 , pp. 649-653
    • Berman, P.1    Karpinski, M.2    Scott, A.D.3
  • 5
    • 0002981945 scopus 로고    scopus 로고
    • A partial k-arboretum of graphs with bounded treewidth
    • Hans L. Bodlaender A partial k-arboretum of graphs with bounded treewidth Theor. Comput. Sci. 209 1999 1 45
    • (1999) Theor. Comput. Sci. , vol.209 , pp. 1-45
    • Bodlaender, H.L.1
  • 8
    • 26944442757 scopus 로고    scopus 로고
    • Correct bond order assignment in a molecular framework using integer linear programming with application to molecules where only non-hydrogen atom coordinates are available
    • DOI 10.1021/ci049645z
    • M. Froeyen, and P. Herdewijn Correct bond order assignment in a molecular framework using integer linear programming with application to molecules where only non-hydrogen atom coordinates are available J. Chem. Inf. Model. 5 2005 1267 1274 (Pubitemid 41476010)
    • (2005) Journal of Chemical Information and Modeling , vol.45 , Issue.5 , pp. 1267-1274
    • Froeyen, M.1    Herdewijn, P.2
  • 9
    • 0037571112 scopus 로고    scopus 로고
    • MMFF VI. MMFF94s option for energy minimization studies
    • T.A. Halgren MMFF VI. MMFF94s option for energy minimization studies J. Comp. Chem. 17 56 1996 490 519
    • (1996) J. Comp. Chem. , vol.17 , Issue.56 , pp. 490-519
    • Halgren, T.A.1
  • 10
    • 0013462042 scopus 로고    scopus 로고
    • BALI: Automatic assignment of bond and atom types for protein ligands in the Brookhaven Protein Databank
    • M. Hendlich, F. Rippmann, and G. Barnickel BALI: automatic assignment of bond and atom types for protein ligands in the brookhaven protein databank J. Chem. Inf. Model. 37 1997 774 778 (Pubitemid 127603592)
    • (1997) Journal of Chemical Information and Computer Sciences , vol.37 , Issue.4 , pp. 774-778
    • Hendlich, M.1    Rippmann, F.2    Barnickel, G.3
  • 12
    • 18344384604 scopus 로고    scopus 로고
    • On the perception of molecules from 3D atomic coordinates
    • DOI 10.1021/ci049915d
    • P. Labute On the perception of molecules from 3D atomic coordinates J. Chem. Inf. Model. 45 2 2005 215 221 (Pubitemid 40635324)
    • (2005) Journal of Chemical Information and Modeling , vol.45 , Issue.2 , pp. 215-221
    • Labute, P.1
  • 14
    • 0026366408 scopus 로고
    • Optimization, approximation, and complexity classes
    • C. Papadimitriou, and M. Yannakakis Optimization, approximation, and complexity classes J. Comput. Syst. Sci. 43 3 1991 425 440
    • (1991) J. Comput. Syst. Sci. , vol.43 , Issue.3 , pp. 425-440
    • Papadimitriou, C.1    Yannakakis, M.2
  • 15
    • 0000673493 scopus 로고
    • Graph minors: Algorithmic aspects of tree-width
    • N. Robertson, and P. Seymour Graph minors: algorithmic aspects of tree-width J. Algorithms 7 1986 309 322
    • (1986) J. Algorithms , vol.7 , pp. 309-322
    • Robertson, N.1    Seymour, P.2
  • 17
    • 33748538349 scopus 로고    scopus 로고
    • Automatic atom type and bond type perception in molecular mechanical calculations
    • DOI 10.1016/j.jmgm.2005.12.005, PII S1093326305001737
    • J. Wang, W. Wang, P.A. Kollmann, and D.A. Case Automatic atom type and bond type perception in molecular mechanical calculations J. Mol. Graph. Model. 25 2006 247 260 (Pubitemid 44363172)
    • (2006) Journal of Molecular Graphics and Modelling , vol.25 , Issue.2 , pp. 247-260
    • Wang, J.1    Wang, W.2    Kollman, P.A.3    Case, D.A.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.