-
1
-
-
0001936938
-
Chemical applications of graph theory
-
Wilson RJ, Beineke LW (eds.). Academic Press: New York
-
Rouvray DH, Balaban AT. Chemical applications of graph theory. Applications of Graph Theory, Wilson RJ, Beineke LW (eds.). Academic Press: New York, 1979; 177-221.
-
(1979)
Applications of Graph Theory
, pp. 177-221
-
-
Rouvray, D.H.1
Balaban, A.T.2
-
2
-
-
0025275776
-
Use of techniques derived from graph theory to compare secondary structure motifs in proteins
-
Mitchell EM, Artymiuk PJ, Rice DW, Willett P. Use of techniques derived from graph theory to compare secondary structure motifs in proteins. Journal of Molecular Biology 1990; 212:151-166.
-
(1990)
Journal of Molecular Biology
, vol.212
, pp. 151-166
-
-
Mitchell, E.M.1
Artymiuk, P.J.2
Rice, D.W.3
Willett, P.4
-
3
-
-
0027511808
-
Identification of tertiary structure resemblance in proteins using a maximal common subgraph isomorphism algorithm
-
Grindley HM, Artymiuk PJ, Rice DW, Willett P. Identification of tertiary structure resemblance in proteins using a maximal common subgraph isomorphism algorithm. Journal of Molecular Biology 1993; 229:707-721.
-
(1993)
Journal of Molecular Biology
, vol.229
, pp. 707-721
-
-
Grindley, H.M.1
Artymiuk, P.J.2
Rice, D.W.3
Willett, P.4
-
5
-
-
0031085189
-
Similarity searching in files of three-dimensional chemical structures: Representation and searching of molecular electrostatic potentials using field-graphs
-
Thorner DA, Willett P, Wright PM, Taylor R. Similarity searching in files of three-dimensional chemical structures: Representation and searching of molecular electrostatic potentials using field-graphs. Journal of Computer-Aided Molecular Design 1997; 11:163-174.
-
(1997)
Journal of Computer-Aided Molecular Design
, vol.11
, pp. 163-174
-
-
Thorner, D.A.1
Willett, P.2
Wright, P.M.3
Taylor, R.4
-
6
-
-
0030859809
-
Representation and searching of carbohydrate structures using graph-theoretic techniques
-
Bruno IJ, Kemp NM, Artymiuk PJ, Willett P. Representation and searching of carbohydrate structures using graph-theoretic techniques. Carbohydrate Research 1997; 304:61-67.
-
(1997)
Carbohydrate Research
, vol.304
, pp. 61-67
-
-
Bruno, I.J.1
Kemp, N.M.2
Artymiuk, P.J.3
Willett, P.4
-
8
-
-
0019599369
-
Use of a maximal common subgraph algorithm in the automatic identification of the ostensible bond changes occurring in chemical reactions
-
McGregor J, Willett P. Use of a maximal common subgraph algorithm in the automatic identification of the ostensible bond changes occurring in chemical reactions. Journal of Chemical Information and Computer Science 1981; 21:137-140.
-
(1981)
Journal of Chemical Information and Computer Science
, vol.21
, pp. 137-140
-
-
McGregor, J.1
Willett, P.2
-
10
-
-
0028466893
-
Application of the maximal common substructure algorithm to automatic interpretation of 13C-NMR spectra
-
Chen L, Robien W. Application of the maximal common substructure algorithm to automatic interpretation of 13C-NMR spectra. Journal of Chemical Information and Computer Science 1994; 34:934-941.
-
(1994)
Journal of Chemical Information and Computer Science
, vol.34
, pp. 934-941
-
-
Chen, L.1
Robien, W.2
-
11
-
-
0000253451
-
Computer-aided interpretation of mass spectra. 20. Molecular structure comparison program for the identification of maximal common substructures
-
Cone M, Venkataraghavan R, McLafferty F. Computer-aided interpretation of mass spectra. 20. Molecular structure comparison program for the identification of maximal common substructures. Journal of the American Chemistry Society 1977; 99:7668-7671.
-
(1977)
Journal of the American Chemistry Society
, vol.99
, pp. 7668-7671
-
-
Cone, M.1
Venkataraghavan, R.2
McLafferty, F.3
-
12
-
-
0002611663
-
Structure-reactivity maps as a tool for visualizing xenobiotic structure-reactivity relationships
-
Gifford E, Johnson M, Smith D, Tsai C. Structure-reactivity maps as a tool for visualizing xenobiotic structure-reactivity relationships. Network Science 1996; 2:1-33.
-
(1996)
Network Science
, vol.2
, pp. 1-33
-
-
Gifford, E.1
Johnson, M.2
Smith, D.3
Tsai, C.4
-
13
-
-
0036022963
-
Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databases
-
Raymond J, Willett P. Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databases. Journal of Computer-Aided Molecular Design 2002; 16:59-71.
-
(2002)
Journal of Computer-Aided Molecular Design
, vol.16
, pp. 59-71
-
-
Raymond, J.1
Willett, P.2
-
14
-
-
0034351495
-
Effectiveness of retrieval in similarity searches of chemical databases: A review of performance measures
-
Edgar SJ, Holliday JD, Willett P. Effectiveness of retrieval in similarity searches of chemical databases: A review of performance measures. Journal of Molecular Graphics and Modelling 2000; 18:343-357.
-
(2000)
Journal of Molecular Graphics and Modelling
, vol.18
, pp. 343-357
-
-
Edgar, S.J.1
Holliday, J.D.2
Willett, P.3
-
17
-
-
0024663244
-
Matching oversegmented 3D images to models using association graphs
-
Yang B, Snyder W, Bilbro G. Matching oversegmented 3D images to models using association graphs. Image and Vision Computing 1989; 7(2):135-143.
-
(1989)
Image and Vision Computing
, vol.7
, Issue.2
, pp. 135-143
-
-
Yang, B.1
Snyder, W.2
Bilbro, G.3
-
18
-
-
0031167941
-
Matching feature points in image sequences through a region-based method
-
Pla F, Merchant J. Matching feature points in image sequences through a region-based method. Computer Vision Image Understanding 1997; 66:271-285.
-
(1997)
Computer Vision Image Understanding
, vol.66
, pp. 271-285
-
-
Pla, F.1
Merchant, J.2
-
19
-
-
0035342551
-
Video indexing and similarity retrieval by largest common subgraph detection using decision trees
-
Shearer K, Bunke H, Venkatesh S. Video indexing and similarity retrieval by largest common subgraph detection using decision trees. Pattern Recognition 2001; 34:1075-1091.
-
(2001)
Pattern Recognition
, vol.34
, pp. 1075-1091
-
-
Shearer, K.1
Bunke, H.2
Venkatesh, S.3
-
20
-
-
0036663707
-
Maximum common subgraph isomorphism algorithms for the matching of chemical structures
-
Raymond J, Willett P. Maximum common subgraph isomorphism algorithms for the matching of chemical structures. Journal of Computer-Aided Molecular Design 2002; 16:521-533.
-
(2002)
Journal of Computer-Aided Molecular Design
, vol.16
, pp. 521-533
-
-
Raymond, J.1
Willett, P.2
-
21
-
-
84957572537
-
Recent advances in structural pattern recognition with applications to visual form analysis
-
Arcelli C, Cordella L, Sanniti di Baja G (eds.). Springer: Berlin
-
Bunke H. Recent advances in structural pattern recognition with applications to visual form analysis. Visual Form 2001 (Lecture Notes in Computer Science, vol. 2059), Arcelli C, Cordella L, Sanniti di Baja G (eds.). Springer: Berlin, 2001; 11-23.
-
(2001)
Visual Form 2001 (Lecture Notes in Computer Science, Vol. 2059)
, vol.2059
, pp. 11-23
-
-
Bunke, H.1
-
22
-
-
51249191195
-
A note on the derivation of maximal common subgraphs of two directed or undirected graphs
-
Levi G. A note on the derivation of maximal common subgraphs of two directed or undirected graphs. Calcolo 1972; 9:341-354.
-
(1972)
Calcolo
, vol.9
, pp. 341-354
-
-
Levi, G.1
-
23
-
-
84976668743
-
Algorithm 457 - Finding all cliques of an undirected graph
-
Bron C, Kerbosch J. Algorithm 457 - finding all cliques of an undirected graph. Communications of the ACM 1973; 16:575-577.
-
(1973)
Communications of the ACM
, vol.16
, pp. 575-577
-
-
Bron, C.1
Kerbosch, J.2
-
24
-
-
0019909679
-
Backtrack search algorithms and the maximal common subgraph problem
-
McGregor J. Backtrack search algorithms and the maximal common subgraph problem. Software - Practice and Experience 1982; 12:23-34.
-
(1982)
Software - Practice and Experience
, vol.12
, pp. 23-34
-
-
McGregor, J.1
-
26
-
-
0037246807
-
E-MSD: The European Bioinformatics Institute Macromolecular Structure Database
-
Boutselakis H et al. E-MSD: The European Bioinformatics Institute Macromolecular Structure Database. Nucleic Acids Research 2003; 31(1):458-462.
-
(2003)
Nucleic Acids Research
, vol.31
, Issue.1
, pp. 458-462
-
-
Boutselakis, H.1
-
27
-
-
0036850256
-
The CCP4 molecular-graphics project
-
Potterton E, McNicholas S, Krissinel E, Cowtan K, Noble M. The CCP4 molecular-graphics project. Acta Crystallography 2002; D58:1955-1957.
-
(2002)
Acta Crystallography
, vol.D58
, pp. 1955-1957
-
-
Potterton, E.1
McNicholas, S.2
Krissinel, E.3
Cowtan, K.4
Noble, M.5
-
28
-
-
0033954256
-
The Protein Data Bank
-
Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE. The Protein Data Bank. Nucleic Acids Research 2000; 28:235-242.
-
(2000)
Nucleic Acids Research
, vol.28
, pp. 235-242
-
-
Berman, H.M.1
Westbrook, J.2
Feng, Z.3
Gilliland, G.4
Bhat, T.N.5
Weissig, H.6
Shindyalov, I.N.7
Bourne, P.E.8
-
29
-
-
84951803526
-
-
Springer: Heidelberg
-
Bunke H, Foggia P, Guidobaldi C, Sansone C, Vento M. A Comparison of Algorithms for Maximal Common Subgraph on Randomly Connected Graphs (Lecture Notes in Computer Science, vol. 2396). Springer: Heidelberg, 2002; 123-132.
-
(2002)
A Comparison of Algorithms for Maximal Common Subgraph on Randomly Connected Graphs (Lecture Notes in Computer Science, Vol. 2396)
, vol.2396
, pp. 123-132
-
-
Bunke, H.1
Foggia, P.2
Guidobaldi, C.3
Sansone, C.4
Vento, M.5
-
30
-
-
0001097032
-
An improved algorithm for matching large graphs
-
Italy. CVEN Ed.
-
Cordella LP, Foggia P, Sansone C, Vento M. An improved algorithm for matching large graphs. Proceedings of the 3rd IAPR-TC-15 International Workshop on Graph-based Representations, Italy. CVEN Ed., 2001; 149-159.
-
(2001)
Proceedings of the 3rd IAPR-TC-15 International Workshop on Graph-based Representations
, pp. 149-159
-
-
Cordella, L.P.1
Foggia, P.2
Sansone, C.3
Vento, M.4
-
34
-
-
0028103275
-
The CCP4 Suite: Programs for protein crystallography
-
Collaborative Computational Project, Number 4
-
Collaborative Computational Project, Number 4. The CCP4 Suite: Programs for protein crystallography. Acta Crystallography D 1994; 50:760-763.
-
(1994)
Acta Crystallography D
, vol.50
, pp. 760-763
-
-
|