-
1
-
-
80155196944
-
Maximum Common Subgraph Isomorphism Algorithms and Their Applications in Molecular Science: A review
-
Ehrlich, H.-C.; Rarey, M. Maximum Common Subgraph Isomorphism Algorithms and Their Applications in Molecular Science: A review Wiley Interdiscip. Rev.: Comput. Mol. Sci. 2011, 1, 68-79
-
(2011)
Wiley Interdiscip. Rev.: Comput. Mol. Sci.
, vol.1
, pp. 68-79
-
-
Ehrlich, H.-C.1
Rarey, M.2
-
3
-
-
0036740917
-
Why Do We Need so Many Chemical Similarity Search Methods?
-
Sheridan, R. P.; Kearsley, S. K. Why Do We Need So Many Chemical Similarity Search Methods? Drug Discovery Today 2002, 7, 903-911
-
(2002)
Drug Discovery Today
, vol.7
, pp. 903-911
-
-
Sheridan, R.P.1
Kearsley, S.K.2
-
4
-
-
5344244908
-
Chemical Similarity Searching
-
Willett, P.; Barnard, J. M.; Downs, G. M. Chemical Similarity Searching J. Chem. Inf. Comput. Sci. 1998, 38, 983-996
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 983-996
-
-
Willett, P.1
Barnard, J.M.2
Downs, G.M.3
-
5
-
-
21244468757
-
Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures
-
Willett, P. Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures J. Med. Chem. 2005, 48, 4183-4199
-
(2005)
J. Med. Chem.
, vol.48
, pp. 4183-4199
-
-
Willett, P.1
-
6
-
-
57849168939
-
Similarity Methods in Chemoinformatics
-
Willett, P. Similarity Methods in Chemoinformatics Annu. Rev. Inf. Sci. Technol. 2009, 43, 1-117
-
(2009)
Annu. Rev. Inf. Sci. Technol.
, vol.43
, pp. 1-117
-
-
Willett, P.1
-
7
-
-
0032024433
-
A Graph Distance Metric Based on the Maximal Common Subgraph
-
Bunke, H.; Shearer, K. A Graph Distance Metric Based on the Maximal Common Subgraph Pattern Recognit. Lett. 1998, 19, 255-259
-
(1998)
Pattern Recognit. Lett.
, vol.19
, pp. 255-259
-
-
Bunke, H.1
Shearer, K.2
-
8
-
-
0036448558
-
RASCAL: Calculation of Graph Similarity Using Maximum Common Edge Subgraphs
-
Raymond, J. W.; Gardiner, E. J.; Willett, P. RASCAL: Calculation of Graph Similarity Using Maximum Common Edge Subgraphs Comput. J. 2002, 45, 631-644
-
(2002)
Comput. J.
, vol.45
, pp. 631-644
-
-
Raymond, J.W.1
Gardiner, E.J.2
Willett, P.3
-
9
-
-
0036022963
-
Effectiveness of Graph-Based and Fingerprint-Based Similarity Measures for Virtual Screening of 2D Chemical Structure Databases
-
Raymond, J. W.; Willett, P. Effectiveness of Graph-Based and Fingerprint-Based Similarity Measures for Virtual Screening of 2D Chemical Structure Databases J. Comput.-Aided Mol. Des. 2002, 16, 59-71
-
(2002)
J. Comput.-Aided Mol. Des.
, vol.16
, pp. 59-71
-
-
Raymond, J.W.1
Willett, P.2
-
11
-
-
33750981540
-
Do Structurally Similar Ligands Bind in a Similar Fashion?
-
Boström, J.; Hogner, A.; Schmitt, S. Do Structurally Similar Ligands Bind in a Similar Fashion? J. Med. Chem. 2006, 49, 6716-6725
-
(2006)
J. Med. Chem.
, vol.49
, pp. 6716-6725
-
-
Boström, J.1
Hogner, A.2
Schmitt, S.3
-
12
-
-
20444410051
-
Database Clustering with a Combination of Fingerprint and Maximum Common Substructure Methods
-
Stahl, M.; Mauser, H. Database Clustering with a Combination of Fingerprint and Maximum Common Substructure Methods J. Chem. Inf. Model. 2005, 45, 542-548
-
(2005)
J. Chem. Inf. Model.
, vol.45
, pp. 542-548
-
-
Stahl, M.1
Mauser, H.2
-
13
-
-
34247257243
-
Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs
-
Gardiner, E. J.; Gillet, V. J.; Willett, P.; Cosgrove, D. A. Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs J. Chem. Inf. Model. 2007, 47, 354-366
-
(2007)
J. Chem. Inf. Model.
, vol.47
, pp. 354-366
-
-
Gardiner, E.J.1
Gillet, V.J.2
Willett, P.3
Cosgrove, D.A.4
-
14
-
-
57549105281
-
Toward an Improved Clustering of Large Data Sets Using Maximum Common Substructures and Topological Fingerprints
-
Böcker, A. Toward an Improved Clustering of Large Data Sets Using Maximum Common Substructures and Topological Fingerprints J. Chem. Inf. Model. 2008, 48, 2097-2107
-
(2008)
J. Chem. Inf. Model.
, vol.48
, pp. 2097-2107
-
-
Böcker, A.1
-
15
-
-
0036025428
-
The Most Common Chemical Replacements in Drug-Like Compounds
-
Sheridan, R. P. The Most Common Chemical Replacements in Drug-Like Compounds J. Chem. Inf. Comput. Sci. 2002, 42, 103-108
-
(2002)
J. Chem. Inf. Comput. Sci.
, vol.42
, pp. 103-108
-
-
Sheridan, R.P.1
-
16
-
-
33645412367
-
Kinase Patent Space Visualization Using Chemical Replacements
-
Southall, N. T. Kinase Patent Space Visualization Using Chemical Replacements J. Med. Chem. 2006, 49, 2103-2109
-
(2006)
J. Med. Chem.
, vol.49
, pp. 2103-2109
-
-
Southall, N.T.1
-
17
-
-
69549097796
-
Rationalizing Lead Optimization by Associating Quantitative Relevance with Molecular Structure Modification
-
Raymond, J. W.; Watson, I. A.; Mahoui, A. Rationalizing Lead Optimization by Associating Quantitative Relevance with Molecular Structure Modification J. Chem. Inf. Model. 2009, 49, 1952-1962
-
(2009)
J. Chem. Inf. Model.
, vol.49
, pp. 1952-1962
-
-
Raymond, J.W.1
Watson, I.A.2
Mahoui, A.3
-
18
-
-
0019599369
-
Use of a Maximum Common Subgraph Algorithm in the Automatic Identification of Ostensible Bond Changes Occurring in Chemical Reactions
-
McGregor, J. J.; Willett, P. Use of a Maximum Common Subgraph Algorithm in the Automatic Identification of Ostensible Bond Changes Occurring in Chemical Reactions J. Chem. Inf. Comput. Sci. 1981, 21, 137-140
-
(1981)
J. Chem. Inf. Comput. Sci.
, vol.21
, pp. 137-140
-
-
McGregor, J.J.1
Willett, P.2
-
19
-
-
84888614601
-
ReactionMap: An Efficient Atom-Mapping Algorithm for Chemical Reactions
-
Fooshee, D.; Andronico, A.; Baldi, P. ReactionMap: An Efficient Atom-Mapping Algorithm for Chemical Reactions J. Chem. Inf. Model. 2013, 53, 2812-2819
-
(2013)
J. Chem. Inf. Model.
, vol.53
, pp. 2812-2819
-
-
Fooshee, D.1
Andronico, A.2
Baldi, P.3
-
20
-
-
34247208044
-
Graph-Based Molecular Alignment (GMA)
-
Marialke, J.; Körner, R.; Tietze, S.; Apostolakis, J. Graph-Based Molecular Alignment (GMA) J. Chem. Inf. Model. 2007, 47, 591-601
-
(2007)
J. Chem. Inf. Model.
, vol.47
, pp. 591-601
-
-
Marialke, J.1
Körner, R.2
Tietze, S.3
Apostolakis, J.4
-
21
-
-
84904977283
-
3D Flexible Alignment Using 2D Maximum Common Substructure: Dependence of Prediction Accuracy on Target-Reference Chemical Similarity
-
Kawabata, T.; Nakamura, H. 3D Flexible Alignment Using 2D Maximum Common Substructure: Dependence of Prediction Accuracy on Target-Reference Chemical Similarity J. Chem. Inf. Model. 2014, 54, 1850-1863
-
(2014)
J. Chem. Inf. Model.
, vol.54
, pp. 1850-1863
-
-
Kawabata, T.1
Nakamura, H.2
-
22
-
-
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 Recognit. 2001, 34, 1075-1091
-
(2001)
Pattern Recognit.
, vol.34
, pp. 1075-1091
-
-
Shearer, K.1
Bunke, H.2
Venkatesh, S.3
-
23
-
-
3142716665
-
Thirty Years of Graph Matching in Pattern Recognition
-
Conte, D.; Foggia, P.; Sansone, C.; Vento, M. Thirty Years of Graph Matching in Pattern Recognition Int. J. Pattern Recognit. Artif. Intell. 2004, 18, 265-298
-
(2004)
Int. J. Pattern Recognit. Artif. Intell.
, vol.18
, pp. 265-298
-
-
Conte, D.1
Foggia, P.2
Sansone, C.3
Vento, M.4
-
26
-
-
84901022772
-
Chemoinformatics-An Introduction for Computer Scientists
-
Brown, N. Chemoinformatics-An Introduction for Computer Scientists ACM Comput. Surv. 2009, 41, 8-38
-
(2009)
ACM Comput. Surv.
, vol.41
, pp. 8-38
-
-
Brown, N.1
-
27
-
-
0036663707
-
Maximum Common Subgraph Isomorphism Algorithms for the Matching of Chemical Structures
-
Raymond, J. W.; Willett, P. Maximum Common Subgraph Isomorphism Algorithms for the Matching of Chemical Structures J. Comput.-Aided Mol. Des. 2002, 16, 521-533
-
(2002)
J. Comput.-Aided Mol. Des.
, vol.16
, pp. 521-533
-
-
Raymond, J.W.1
Willett, P.2
-
28
-
-
46249123633
-
A Maximum Common Substructure-Based Algorithm for Searching and Predicting Drug-Like Compounds
-
Cao, Y.; Jiang, T.; Girke, T. A Maximum Common Substructure-Based Algorithm for Searching and Predicting Drug-Like Compounds Bioinformatics 2008, 24, 366-374
-
(2008)
Bioinformatics
, vol.24
, pp. 366-374
-
-
Cao, Y.1
Jiang, T.2
Girke, T.3
-
29
-
-
80051966794
-
Build-Up Algorithm for Atomic Correspondence between Chemical Structures
-
Kawabata, T. Build-Up Algorithm for Atomic Correspondence between Chemical Structures J. Chem. Inf. Model. 2011, 51, 1775-1787
-
(2011)
J. Chem. Inf. Model.
, vol.51
, pp. 1775-1787
-
-
Kawabata, T.1
-
30
-
-
84886072441
-
FmcsR: Mismatch Tolerant Maximum Common Substructure Searching in R
-
Wang, Y.; Backman, T. W. H.; Horan, K.; Girke, T. fmcsR: Mismatch Tolerant Maximum Common Substructure Searching in R Bioinformatics 2013, 29, 2792-2794
-
(2013)
Bioinformatics
, vol.29
, pp. 2792-2794
-
-
Wang, Y.1
Backman, T.W.H.2
Horan, K.3
Girke, T.4
-
31
-
-
79955388687
-
MultiMCS: A Fast Algorithm for the Maximum Common Substructure Problem on Multiple Molecules
-
Hariharan, R.; Janakiraman, A.; Nilakantan, R.; Singh, B.; Varghese, S.; Landrum, G.; Schuffenhauer, A. MultiMCS: A Fast Algorithm for the Maximum Common Substructure Problem on Multiple Molecules J. Chem. Inf. Model. 2011, 51, 788-806
-
(2011)
J. Chem. Inf. Model.
, vol.51
, pp. 788-806
-
-
Hariharan, R.1
Janakiraman, A.2
Nilakantan, R.3
Singh, B.4
Varghese, S.5
Landrum, G.6
Schuffenhauer, A.7
-
32
-
-
84930200211
-
FMCS: A Novel Algorithm for the Multiple MCS Problem
-
Dalke, A.; Hastings, J. FMCS: A Novel Algorithm for the Multiple MCS Problem J. Cheminf. 2013, 5, O6
-
(2013)
J. Cheminf.
, vol.5
, pp. 6
-
-
Dalke, A.1
Hastings, J.2
-
33
-
-
0019909679
-
Backtrack Search Algorithms and the Maximal Common Subgraph Problem
-
McGregor, J. J. Backtrack Search Algorithms and the Maximal Common Subgraph Problem Software: Pract. Exper. 1982, 12, 23-34
-
(1982)
Software: Pract. Exper.
, vol.12
, pp. 23-34
-
-
McGregor, J.J.1
-
34
-
-
0000860761
-
MCSS: A New Algorithm for Perception of Maximal Common Substructures and Its Application to NMR Spectral Studies. 1. The Algorithm
-
Chen, L.; Robien, W. MCSS: A New Algorithm for Perception of Maximal Common Substructures and Its Application to NMR Spectral Studies. 1. The Algorithm J. Chem. Inf. Comput. Sci. 1992, 32, 501-506
-
(1992)
J. Chem. Inf. Comput. Sci.
, vol.32
, pp. 501-506
-
-
Chen, L.1
Robien, W.2
-
35
-
-
2342491596
-
Common Subgraph Isomorphism Detection by Backtracking Search
-
Krissinel, E. B.; Henrick, K. Common Subgraph Isomorphism Detection by Backtracking Search Software: Pract. Exper. 2004, 34, 591-607
-
(2004)
Software: Pract. Exper.
, vol.34
, pp. 591-607
-
-
Krissinel, E.B.1
Henrick, K.2
-
36
-
-
0002733254
-
An Efficient Algorithm for Similarity Analysis of Molecules
-
Durand, P. J.; Pasari, R.; Baker, J. W.; Tsai, C.-c. An Efficient Algorithm for Similarity Analysis of Molecules Internet J. Chem. 1999, 2, 1-16
-
(1999)
Internet J. Chem.
, vol.2
, pp. 1-16
-
-
Durand, P.J.1
Pasari, R.2
Baker, J.W.3
Tsai, C.-C.4
-
37
-
-
0034909407
-
Enumerating All Connected Maximal Common Subgraphs in Two Graphs
-
Koch, I. Enumerating All Connected Maximal Common Subgraphs in Two Graphs Theor. Comput. Sci. 2001, 250, 1-30
-
(2001)
Theor. Comput. Sci.
, vol.250
, pp. 1-30
-
-
Koch, I.1
-
38
-
-
0036522746
-
Heuristics for Similarity Searching of Chemical Graphs Using a Maximum Common Edge Subgraph Algorithm
-
Raymond, J. W.; Gardiner, E. J.; Willett, P. Heuristics for Similarity Searching of Chemical Graphs Using a Maximum Common Edge Subgraph Algorithm J. Chem. Inf. Comput. Sci. 2002, 42, 305-316
-
(2002)
J. Chem. Inf. Comput. Sci.
, vol.42
, pp. 305-316
-
-
Raymond, J.W.1
Gardiner, E.J.2
Willett, P.3
-
39
-
-
0028317796
-
Matching Two-Dimensional Chemical Graphs Using Genetic Algorithms
-
Brown, R. D.; Jones, G.; Willett, P.; Glen, R. C. Matching Two-Dimensional Chemical Graphs Using Genetic Algorithms J. Chem. Inf. Comput. Sci. 1994, 34, 63-70
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 63-70
-
-
Brown, R.D.1
Jones, G.2
Willett, P.3
Glen, R.C.4
-
40
-
-
0001428106
-
EMCSS: A New Method for Maximal Common Substructure Search
-
Wang, T.; Zhou, J. EMCSS: A New Method for Maximal Common Substructure Search J. Chem. Inf. Comput. Sci. 1997, 37, 828-834
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 828-834
-
-
Wang, T.1
Zhou, J.2
-
41
-
-
33751391841
-
Automatic Identification of Molecular Similarity Using Reduced-Graph Representation of Chemical Structure
-
Takahashi, Y.; Sukekawa, M.; Sasaki, S. Automatic Identification of Molecular Similarity Using Reduced-Graph Representation of Chemical Structure J. Chem. Inf. Comput. Sci. 1992, 32, 639-643
-
(1992)
J. Chem. Inf. Comput. Sci.
, vol.32
, pp. 639-643
-
-
Takahashi, Y.1
Sukekawa, M.2
Sasaki, S.3
-
42
-
-
0032149905
-
Feature Trees: A New Molecular Similarity Measure Based on Tree Matching
-
Rarey, M.; Dixon, J. S. Feature Trees: A New Molecular Similarity Measure Based on Tree Matching J. Comput.-Aided Mol. Des. 1998, 12, 471-490
-
(1998)
J. Comput.-Aided Mol. Des.
, vol.12
, pp. 471-490
-
-
Rarey, M.1
Dixon, J.S.2
-
43
-
-
33646237786
-
Scaffold Hopping Using Clique Detection Applied to Reduced Graphs
-
Barker, E. J.; Buttar, D.; Cosgrove, D. A.; Gardiner, E. J.; Kitts, P.; Willett, P.; Gillet, V. J. Scaffold Hopping Using Clique Detection Applied to Reduced Graphs J. Chem. Inf. Model. 2006, 46, 503-511
-
(2006)
J. Chem. Inf. Model.
, vol.46
, pp. 503-511
-
-
Barker, E.J.1
Buttar, D.2
Cosgrove, D.A.3
Gardiner, E.J.4
Kitts, P.5
Willett, P.6
Gillet, V.J.7
-
44
-
-
51249191195
-
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 1973, 9, 341-352
-
(1973)
Calcolo
, vol.9
, pp. 341-352
-
-
Levi, G.A.1
-
45
-
-
0001231350
-
A Subgraph Isomorphism Theorem for Molecular Graphs
-
In; Elsevier: Amsterdam
-
Nicholson, V.; Tsai, C.-C.; Johnson, M.; Naim, M. A Subgraph Isomorphism Theorem for Molecular Graphs. In Graph Theory and Topology in Chemistry; Elsevier: Amsterdam, 1987; pp 226-230.
-
(1987)
Graph Theory and Topology in Chemistry
, pp. 226-230
-
-
Nicholson, V.1
Tsai, C.-C.2
Johnson, M.3
Naim, M.4
-
46
-
-
58449085212
-
Simple Ingredients Leading to Very Efficient Heuristics for the Maximum Clique Problem
-
Grosso, A.; Locatelli, M.; Pullan, W. Simple Ingredients Leading to Very Efficient Heuristics for the Maximum Clique Problem J. Heuristics 2008, 14, 587-612
-
(2008)
J. Heuristics
, vol.14
, pp. 587-612
-
-
Grosso, A.1
Locatelli, M.2
Pullan, W.3
-
47
-
-
0001270387
-
Congruent Graphs and the Connectivity of Graphs
-
Whitney, H. Congruent Graphs and the Connectivity of Graphs Am. J. Math. 1932, 54, 150-168
-
(1932)
Am. J. Math.
, vol.54
, pp. 150-168
-
-
Whitney, H.1
-
48
-
-
0003780715
-
-
Addison-Wesley: Reading, MA
-
Harary, F. Graph Theory; Addison-Wesley: Reading, MA, 1969.
-
(1969)
Graph Theory
-
-
Harary, F.1
-
49
-
-
54949108677
-
PubChem: Integrated Platform of Small Molecules and Biological Activities
-
Vol. American Chemical Society: Washington, DC, Chapter 12
-
Bolton, E. E.; Wang, Y.; Thiessen, P. A.; Bryant, S. H. PubChem: Integrated Platform of Small Molecules and Biological Activities. In Annual Reports in Computational Chemistry, Vol. 4; American Chemical Society: Washington, DC, 1990; Chapter 12.
-
(1990)
Annual Reports in Computational Chemistry
, vol.4
-
-
Bolton, E.E.1
Wang, Y.2
Thiessen, P.A.3
Bryant, S.H.4
-
50
-
-
0000293407
-
The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service
-
Morgan, H. L. The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service J. Chem. Doc. 1965, 5, 107-113
-
(1965)
J. Chem. Doc.
, vol.5
, pp. 107-113
-
-
Morgan, H.L.1
-
51
-
-
77952772341
-
Extended-Connectivity Fingerprints
-
Rogers, D.; Hahn, M. Extended-Connectivity Fingerprints J. Chem. Inf. Model. 2010, 50, 742-754
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 742-754
-
-
Rogers, D.1
Hahn, M.2
-
52
-
-
21244496075
-
A Robust Clustering Method for Chemical Structures
-
Stahl, M.; Mauser, H.; Tsui, M.; Taylor, N. R. A Robust Clustering Method for Chemical Structures J. Med. Chem. 2005, 48, 4358-4366
-
(2005)
J. Med. Chem.
, vol.48
, pp. 4358-4366
-
-
Stahl, M.1
Mauser, H.2
Tsui, M.3
Taylor, N.R.4
-
53
-
-
74049089230
-
Small Molecule Subgraph Detector (SMSD) Toolkit
-
Rahman, S.; Bashton, M.; Holliday, G.; Schrader, R.; Thornton, J. Small Molecule Subgraph Detector (SMSD) Toolkit J. Cheminf. 2009, 1, 12
-
(2009)
J. Cheminf.
, vol.1
, pp. 12
-
-
Rahman, S.1
Bashton, M.2
Holliday, G.3
Schrader, R.4
Thornton, J.5
-
55
-
-
0033954256
-
The Protein Data Bank
-
Berman, H. M.; Westbrook, J.; Feng, Z.; Gilliland, G.; Bhat, T. N.; Weissig, H.; Shindyalov, I. N.; Bourne, P. E. The Protein Data Bank Nucleic Acids Res. 2000, 28, 235-242
-
(2000)
Nucleic Acids Res.
, 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
-
56
-
-
33846036096
-
The Worldwide Protein Data Bank (wwPDB): Ensuring a Single, Uniform Archive of PDB Data
-
Berman, H. M.; Henrick, K.; Nakamura, H.; Markley, J. L. The Worldwide Protein Data Bank (wwPDB): Ensuring a Single, Uniform Archive of PDB Data Nucleic Acids Res. 2007, 35, D301-D303
-
(2007)
Nucleic Acids Res.
, vol.35
, pp. 301-D303
-
-
Berman, H.M.1
Henrick, K.2
Nakamura, H.3
Markley, J.L.4
-
57
-
-
0032597935
-
A Two-Stage Discrete Optimization Method for Largest Common Subgraph Problems
-
Funabiki, N.; Kitamichi, J. A Two-Stage Discrete Optimization Method for Largest Common Subgraph Problems IEICE Trans. Inf. Syst. 1999, E82-D, 1145-1153
-
(1999)
IEICE Trans. Inf. Syst.
, vol.E82-D
, pp. 1145-1153
-
-
Funabiki, N.1
Kitamichi, J.2
-
58
-
-
84871049646
-
Integration of Ligand-Based Drug Screening with Structure-Based Drug Screening by Combining Maximum Volume Overlapping Score with Ligand Docking
-
Fukunishi, Y.; Nakamura, H. Integration of Ligand-Based Drug Screening with Structure-Based Drug Screening by Combining Maximum Volume Overlapping Score with Ligand Docking Pharmaceuticals 2012, 5, 1332-1345
-
(2012)
Pharmaceuticals
, vol.5
, pp. 1332-1345
-
-
Fukunishi, Y.1
Nakamura, H.2
-
59
-
-
84888602591
-
Nonlinear Scoring Functions for Similarity-Based Ligand Docking and Binding Affinity Prediction
-
Brylinski, M. Nonlinear Scoring Functions for Similarity-Based Ligand Docking and Binding Affinity Prediction J. Chem. Inf. Model. 2013, 53, 3097-3112
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(2013)
J. Chem. Inf. Model.
, vol.53
, pp. 3097-3112
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Brylinski, M.1
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