-
1
-
-
0345924095
-
Rebuilding Connectivity Matrices from Two-Atom Fragments using the Genetic Algorithm
-
Le Bret, C., «Rebuilding Connectivity Matrices from Two-Atom Fragments using the Genetic Algorithm» J. Chem. Inf. Comput. Sci., 36. No 4, 1996, 678-683.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, Issue.4
, pp. 678-683
-
-
Le Bret, C.1
-
2
-
-
0027326068
-
Generation & display of chemical structures by genetic algorithms
-
Hibbert, D.B., «Generation & display of chemical structures by genetic algorithms» Chemom. Intell. Lab. Syst., 20, 1993, 35-43.
-
(1993)
Chemom. Intell. Lab. Syst.
, vol.20
, pp. 35-43
-
-
Hibbert, D.B.1
-
5
-
-
0003474751
-
-
Cambridge University Press
-
Press, W, & al., «Numerical Recipes in C», Cambridge University Press, 1986, p. 16.
-
(1986)
Numerical Recipes in C
, pp. 16
-
-
Press, W.1
-
6
-
-
0024715264
-
Molecular Identification Number for Substructures Search
-
Burden, F. : «Molecular Identification Number for Substructures Search» J. Chem. Inf. Comp. Sci., 29, 1989, pp. 225-227
-
(1989)
J. Chem. Inf. Comp. Sci.
, vol.29
, pp. 225-227
-
-
Burden, F.1
-
7
-
-
0003012394
-
On Highly Discriminating Molecular Topological Index
-
Hu & Xu, «On Highly Discriminating Molecular Topological Index» J. Chem. Inf. Comput. Sci., 36, No 1, 1996, 82-90.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, Issue.1
, pp. 82-90
-
-
Hu1
Xu2
-
8
-
-
0010681380
-
Numerical Modelling of Chemical Structures: Local Graph Invariants & Topological Indices
-
King, R. & Rouvray, D., Eds, Elsevier, Amsterdam
-
Balaban, A., «Numerical Modelling of Chemical Structures: Local Graph Invariants & Topological Indices» in «Graph Theory & Topology» ; King, R. & Rouvray, D., Eds, Elsevier, Amsterdam, 1987, 159-176.
-
(1987)
Graph Theory & Topology
, pp. 159-176
-
-
Balaban, A.1
-
9
-
-
0011983612
-
The Walk ID Numbers Revisited
-
Muller, W. & al., «The Walk ID Numbers Revisited» J. Chem. Inf. Comput. Sci., 33, No 2, 1993, 231-233.
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, Issue.2
, pp. 231-233
-
-
Muller, W.1
-
11
-
-
0017871967
-
Erroneous Claims Concerning the Perception of Topological Symmetry
-
Carhart, R., «Erroneous Claims Concerning the Perception of Topological Symmetry» J. Chem. Int. Comput. Sci., 18, No 2, 1978, 108-110.
-
(1978)
J. Chem. Int. Comput. Sci.
, vol.18
, Issue.2
, pp. 108-110
-
-
Carhart, R.1
-
12
-
-
0037583353
-
Computer Perception of Topological Symmetry
-
Shelley, C. & Munk, M., «Computer Perception of Topological Symmetry» J. Chem. Inf. Comput. Sci., 17, No 2, 1977, 110-113.
-
(1977)
J. Chem. Inf. Comput. Sci.
, vol.17
, Issue.2
, pp. 110-113
-
-
Shelley, C.1
Munk, M.2
-
13
-
-
33947298489
-
Applications of Artificial Intelligence for Chemical Inference. I. The Number of Possible Organic Compounds. Acyclic Structures containing C, H, O and N
-
May 21
-
Lederberg J., Sutherland G., Buchanan B, Feigenbaum E., Robertson A., Duffield A., Djerassi C. : «Applications of Artificial Intelligence for Chemical Inference. I. The Number of Possible Organic Compounds. Acyclic Structures containing C, H, O and N» J. Am. Chem. Soc., 91:11, May 21, 1969, pp. 2973-2976
-
(1969)
J. Am. Chem. Soc.
, vol.91
, Issue.11
, pp. 2973-2976
-
-
Lederberg, J.1
Sutherland, G.2
Buchanan, B.3
Feigenbaum, E.4
Robertson, A.5
Duffield, A.6
Djerassi, C.7
-
14
-
-
0028495062
-
Stochastic Generator of Chemical Structure. 1. Application to the Structure Elucidation of Large Molecules
-
Faulon, J.-L., «Stochastic Generator of Chemical Structure. 1. Application to the Structure Elucidation of Large Molecules» J. Chem. Inf. Comput. Sci., 34, No 5, 1994, 1204-1218.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, Issue.5
, pp. 1204-1218
-
-
Faulon, J.-L.1
-
16
-
-
0000477781
-
Exhaustive Generation of Cyclic & Acyclic Isomers
-
21 Dec.
-
Masinter, L. M., & al., «Exhaustive Generation of Cyclic & Acyclic Isomers» J. Amer. Chem. Soc., 96:25, 21 Dec. 1974, 7702-7714, p.7708.
-
(1974)
J. Amer. Chem. Soc.
, vol.96
, Issue.25
, pp. 7702-7714
-
-
Masinter, L.M.1
-
17
-
-
0028425509
-
Exhaustive Generation of Organic Isomers. 3. Acyclic, Cyclic, and Mixed Compounds
-
Contreras, M. L. & al., «Exhaustive Generation of Organic Isomers. 3. Acyclic, Cyclic, and Mixed Compounds» J. Chem. Inf. Comput. Sci., 34, No 3, 1994, 610-616.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, Issue.3
, pp. 610-616
-
-
Contreras, M.L.1
-
18
-
-
0142004546
-
Structure Generation of Constitutional Isomers from Structural Fragments
-
Bohanec, S., & al., «Structure Generation of Constitutional Isomers from Structural Fragments» J. Chem. Inf. Comput. Sci., 31, No 4, 1991, 531-540.
-
(1991)
J. Chem. Inf. Comput. Sci.
, vol.31
, Issue.4
, pp. 531-540
-
-
Bohanec, S.1
-
19
-
-
0004783496
-
Generation and Enumeration of Carbon Skeletons
-
Hendrickson, J. B. & al., «Generation and Enumeration of Carbon Skeletons» J. Chem. Inf. Comput. Sci., 31, No 1, 1991, 101-107.
-
(1991)
J. Chem. Inf. Comput. Sci.
, vol.31
, Issue.1
, pp. 101-107
-
-
Hendrickson, J.B.1
-
20
-
-
0028036734
-
Principles for Structure Generation of Organic Isomers for Molecular Formula
-
Hu & Xu, «Principles for Structure Generation of Organic Isomers for Molecular Formula» Anal. Chim. Acta, 298, 1994, 75-85.
-
(1994)
Anal. Chim. Acta
, vol.298
, pp. 75-85
-
-
Hu1
Xu2
-
21
-
-
0028811126
-
MOLGEN+, a generator of connectivity isomers and stereoisomers for molecular structure elucidation
-
Benecke, C. & al., «MOLGEN+, a generator of connectivity isomers and stereoisomers for molecular structure elucidation» Anal. Chim. Acta, 314 (1995), 141-147.
-
(1995)
Anal. Chim. Acta
, vol.314
, pp. 141-147
-
-
Benecke, C.1
-
22
-
-
0011955477
-
Topological Approach of 13C NMR Spectral Simulation: Application to fuzzy Substructures
-
Panaye & al., «Topological Approach of 13C NMR Spectral Simulation: Application to fuzzy Substructures» J. Chem. Inf. Comput. Sci., 33, No 2, 1993, 258-265.
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, Issue.2
, pp. 258-265
-
-
Panaye1
-
23
-
-
0027658637
-
Ring Perception. A New Algorithm for Directly Finding the Smallest Set of Smallest Rings from a Connection Table
-
Fan, B. T. & al., «Ring Perception. A New Algorithm for Directly Finding the Smallest Set of Smallest Rings from a Connection Table» J. Chem. Inf. Comput. Sci., 33, No 5, 1993, 657-662.
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, Issue.5
, pp. 657-662
-
-
Fan, B.T.1
-
24
-
-
0001180389
-
Ring Perception using Breadth-First Search
-
Figueras, J., «Ring Perception using Breadth-First Search» J. Chem. Inf. Comput. Sci., 36, No 5, 1996, 986-991.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, Issue.5
, pp. 986-991
-
-
Figueras, J.1
-
25
-
-
0028203106
-
Convergence Analysis of Canonical Genetic Algorithm
-
Jan.
-
Rudolph, G., «Convergence Analysis of Canonical Genetic Algorithm» IEEE Trans. Neural Networks, 5, No 1, Jan. 1994, 96-104.
-
(1994)
IEEE Trans. Neural Networks
, vol.5
, Issue.1
, pp. 96-104
-
-
Rudolph, G.1
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