-
1
-
-
0011362257
-
General methods for the construction of complex molecules
-
Corey, E. J. General methods for the construction of complex molecules. Pure Appl. Chem. 1967, 14, 19-37.
-
(1967)
Pure Appl. Chem
, vol.14
, pp. 19-37
-
-
Corey, E.J.1
-
2
-
-
0041349179
-
Computers and organic synthesis
-
Bersohn, M.; Esack, A. Computers and organic synthesis. Chem. Rev. 1976, 76, 269-282.
-
(1976)
Chem. Rev
, vol.76
, pp. 269-282
-
-
Bersohn, M.1
Esack, A.2
-
3
-
-
37049231053
-
Computer-assisted design of complex organic syntheses
-
Corey, E. J.; Wipke, W. T. Computer-assisted design of complex organic syntheses. Science 1969, 166, 178-192
-
(1969)
Science
, vol.166
, pp. 178-192
-
-
Corey, E.J.1
Wipke, W.T.2
-
4
-
-
0001324343
-
General methods of synthetic analysis-Strategic bond disconnections for bridged polycyclic structures
-
Corey, E. J.; Howe, W. J.; Orf, H. W.; Pensak, D. A.; Petersson, G. General methods of synthetic analysis-Strategic bond disconnections for bridged polycyclic structures. J. Am. Chem. Soc. 1975, 97, 6116-6124.
-
(1975)
J. Am. Chem. Soc
, vol.97
, pp. 6116-6124
-
-
Corey, E.J.1
Howe, W.J.2
Orf, H.W.3
Pensak, D.A.4
Petersson, G.5
-
5
-
-
15944428318
-
Computer-assisted synthetic analysis-Synthetic strategies based on appendages and use of reconnective transforms
-
Corey, E. J.; Jorgensen, W. L. Computer-assisted synthetic analysis-Synthetic strategies based on appendages and use of reconnective transforms. J. Am. Chem. Soc. 1976, 98, 189-203.
-
(1976)
J. Am. Chem. Soc
, vol.98
, pp. 189-203
-
-
Corey, E.J.1
Jorgensen, W.L.2
-
6
-
-
0022045682
-
Computer-assisted analysis in organic-synthesis
-
Corey, E. J.; Long, A. K.; Rubenstein, S. D. Computer-assisted analysis in organic-synthesis. Science 1985, 228, 408-418.
-
(1985)
Science
, vol.228
, pp. 408-418
-
-
Corey, E.J.1
Long, A.K.2
Rubenstein, S.D.3
-
7
-
-
0017388443
-
Empirical explorations of SYNCHEM
-
Gelernter, H. L.; Sanders, A. F.; Larsen, D. L.; Agarwal, K. K.; Boivie, R. H.; Spritzer, G. A.; Searleman, J. E. Empirical explorations of SYNCHEM. Science 1977, 197, 1041-1049.
-
(1977)
Science
, vol.197
, pp. 1041-1049
-
-
Gelernter, H.L.1
Sanders, A.F.2
Larsen, D.L.3
Agarwal, K.K.4
Boivie, R.H.5
Spritzer, G.A.6
Searleman, J.E.7
-
8
-
-
0004651922
-
Simulation and evaluation of chemical synthesis-SECS: An application of artificial intelligence techniques
-
Wipke, W. T.; Ouchi, G. I.; Krishnan, S. Simulation and evaluation of chemical synthesis-SECS: An application of artificial intelligence techniques. Artif. Intell. 1978, 11, 173-193.
-
(1978)
Artif. Intell
, vol.11
, pp. 173-193
-
-
Wipke, W.T.1
Ouchi, G.I.2
Krishnan, S.3
-
10
-
-
84868919695
-
-
accessed Dec 16, 2008
-
Methods in Organic Synthesis (MOS). www.accelrys.com/products/ chem-databases/databases/methods-organic-synthesis.html (accessed Dec 16, 2008).
-
Methods in Organic Synthesis (MOS)
-
-
-
11
-
-
0000777061
-
-
Blake, J. E.; Dana, R. C. CASREACT: more than a million reactions. J. Chem. Inf. Comput. Sci. b1990, 30, 394-399.
-
Blake, J. E.; Dana, R. C. CASREACT: more than a million reactions. J. Chem. Inf. Comput. Sci. b1990, 30, 394-399.
-
-
-
-
12
-
-
0001131768
-
Comparison of Beilstein Cross Fire Plus Reactions and the Selective Reaction Databases under ISIS
-
Parkar, F. A.; Parkin, D. Comparison of Beilstein Cross Fire Plus Reactions and the Selective Reaction Databases under ISIS. J. Chem. Inf. Comput. Sci. 1999, 39, 281-288.
-
(1999)
J. Chem. Inf. Comput. Sci
, vol.39
, pp. 281-288
-
-
Parkar, F.A.1
Parkin, D.2
-
13
-
-
33751149652
-
Computer-assisted planning of organic syntheses: The second generation of programs
-
Ihlenfeldt, W. D.; Gasteiger, J. Computer-assisted planning of organic syntheses: The second generation of programs. Angew. Chem., Int. Ed. Engl. 1996, 34, 2613-2633.
-
(1996)
Angew. Chem., Int. Ed. Engl
, vol.34
, pp. 2613-2633
-
-
Ihlenfeldt, W.D.1
Gasteiger, J.2
-
14
-
-
15944399730
-
Computer-aided organic synthesis
-
Todd, M. H. Computer-aided organic synthesis. Chem. Soc. Rev. 2005, 34, 247-266.
-
(2005)
Chem. Soc. Rev
, vol.34
, pp. 247-266
-
-
Todd, M.H.1
-
15
-
-
33748235473
-
Computer-assisted solution of chemical problems-The historical development and the present state-of-the-art of a new discipline of chemistry
-
Ugi, I.; Bauer, J.; Bley, K.; Dengler, A.; Dietz, A.; Fontain, E.; Gruber, B.; Herges, R.; Knauer, M.; Reitsam, K.; Stein, N. Computer-assisted solution of chemical problems-The historical development and the present state-of-the-art of a new discipline of chemistry. Angew. Chem., Int. Ed. Engl. 1993, 32, 201-227.
-
(1993)
Angew. Chem., Int. Ed. Engl
, vol.32
, pp. 201-227
-
-
Ugi, I.1
Bauer, J.2
Bley, K.3
Dengler, A.4
Dietz, A.5
Fontain, E.6
Gruber, B.7
Herges, R.8
Knauer, M.9
Reitsam, K.10
Stein, N.11
-
16
-
-
0002557694
-
A logic-based program for synthesis design
-
Gasteiger, J.; Jochum, C.; Hendrickson, J. B.; Grier, D. L.; Toczko, A. G. A logic-based program for synthesis design. Top. Curr. Chem. 1978, 74, 93-126.
-
(1978)
Top. Curr. Chem
, vol.74
, pp. 93-126
-
-
Gasteiger, J.1
Jochum, C.2
Hendrickson, J.B.3
Grier, D.L.4
Toczko, A.G.5
-
17
-
-
0003981102
-
Computer-assisted mechanistic evaluation of organic-reactions 0.1. Overview
-
Salatin, T. D.; Jorgensen, W. L. Computer-assisted mechanistic evaluation of organic-reactions 0.1. Overview. J. Org. Chem. 1980, 45, 2043-2051.
-
(1980)
J. Org. Chem
, vol.45
, pp. 2043-2051
-
-
Salatin, T.D.1
Jorgensen, W.L.2
-
18
-
-
33646245167
-
The ROBIA program for predicting organic reactivity
-
Socorro, I. M.; Goodman, J. M. The ROBIA program for predicting organic reactivity. J. Chem. Inf. Model. 2006, 46, 606-14.
-
(2006)
J. Chem. Inf. Model
, vol.46
, pp. 606-614
-
-
Socorro, I.M.1
Goodman, J.M.2
-
19
-
-
84950084793
-
The psychobiological basis of heuristic synthesis planning man, machine and the chiron approach
-
Hanessian, S.; Franco, J.; Larouche, B. The psychobiological basis of heuristic synthesis planning man, machine and the chiron approach. Pure Appl. Chem. 1990, 62, 1887-1910.
-
(1990)
Pure Appl. Chem
, vol.62
, pp. 1887-1910
-
-
Hanessian, S.1
Franco, J.2
Larouche, B.3
-
20
-
-
0021428958
-
Artificial-intelligence in organic-synthesis- SST-Starting material selection-strategies-An application of superstructure search
-
Wipke, W. T.; Rogers, D. Artificial-intelligence in organic-synthesis- SST-Starting material selection-strategies-An application of superstructure search. J. Chem. Inf. Comput. Sci. 1984, 24, 71-81.
-
(1984)
J. Chem. Inf. Comput. Sci
, vol.24
, pp. 71-81
-
-
Wipke, W.T.1
Rogers, D.2
-
21
-
-
23644448559
-
Search for strategies by computer: The CONAN approach-Application to steroid and taxane framework
-
Barone, R.; Chanon, M. Search for strategies by computer: The CONAN approach-Application to steroid and taxane framework. Tetrahedron 2005, 61, 8916-8923.
-
(2005)
Tetrahedron
, vol.61
, pp. 8916-8923
-
-
Barone, R.1
Chanon, M.2
-
22
-
-
0001237629
-
A logic-based program for synthesis design
-
Hendrickson, J. B.; Grier, D. L.; Toczko, A. G. A logic-based program for synthesis design. J. Am. Chem. Soc. 1985, 107, 5228-5238.
-
(1985)
J. Am. Chem. Soc
, vol.107
, pp. 5228-5238
-
-
Hendrickson, J.B.1
Grier, D.L.2
Toczko, A.G.3
-
23
-
-
0018051529
-
Application of chemical transforms in SYNCHEM2, a computer-program for organic synthesis route discovery
-
Agarwal, K. K.; Larsen, D. L.; Gelernter, H. L. Application of chemical transforms in SYNCHEM2, a computer-program for organic synthesis route discovery. Comput. Chem. 1978, 2, 75-84.
-
(1978)
Comput. Chem
, vol.2
, pp. 75-84
-
-
Agarwal, K.K.1
Larsen, D.L.2
Gelernter, H.L.3
-
24
-
-
3242725676
-
-
PhD thesis, University of Leeds, Leeds, U. K
-
Baber, J. C. CAESA: Computer-aided estimation of synthetic accessibility-Improved algorithms for the identification of starting materials. PhD thesis, University of Leeds, Leeds, U. K., 1998.
-
(1998)
Computer-aided estimation of synthetic accessibility-Improved algorithms for the identification of starting materials
-
-
Baber, J.1
CAESA, C.2
-
25
-
-
0013050946
-
Computer-assisted organic synthesis design and reaction prediction system Aiphos
-
Funatsu, K.; Sasaki, S. I. Computer-assisted organic synthesis design and reaction prediction system Aiphos. Tetrahedron Comput. Method 1988, 1, 27.
-
(1988)
Tetrahedron Comput. Method
, vol.1
, pp. 27
-
-
Funatsu, K.1
Sasaki, S.I.2
-
26
-
-
0002820943
-
HIPPO and CAESA: Tools for de novo structure generation and estimation of synthetic accessibility
-
Gillet, V.; Myatt, G.; Zsoldos, Z.; Johnson, A. SPROUT, HIPPO and CAESA: Tools for de novo structure generation and estimation of synthetic accessibility. Perspect. Drug Discovery Des. 1995, 3, 34-50.
-
(1995)
Perspect. Drug Discovery Des
, vol.3
, pp. 34-50
-
-
Gillet, V.1
Myatt, G.2
Zsoldos, Z.3
Johnson4
SPROUT, A.5
-
28
-
-
0013050947
-
The performance of a noninteractive synthesis program
-
Takahashi, M.; Dogane, I.; Yoshida, M.; Yamachika, H.; Takabatake, T.; Bersohn, M. The performance of a noninteractive synthesis program. J. Chem. Inf. Model. 1990, 30, 436-441.
-
(1990)
J. Chem. Inf. Model
, vol.30
, pp. 436-441
-
-
Takahashi, M.1
Dogane, I.2
Yoshida, M.3
Yamachika, H.4
Takabatake, T.5
Bersohn, M.6
-
30
-
-
0000274551
-
Building and refining a knowledge base for synthetic organic chemistry via the methodology of inductive and deductive machine learning
-
Gelernter, H.; Rose, J. R.; Chen, C. H. Building and refining a knowledge base for synthetic organic chemistry via the methodology of inductive and deductive machine learning. J. Chem. Inf. Comput. Sci. 1990, 30, 492-504.
-
(1990)
J. Chem. Inf. Comput. Sci
, vol.30
, pp. 492-504
-
-
Gelernter, H.1
Rose, J.R.2
Chen, C.H.3
-
31
-
-
0001134962
-
A novel approach to retrosynthetic analysis using knowledge bases derived from reaction databases
-
Satoh, K.; Funatsu, K. A novel approach to retrosynthetic analysis using knowledge bases derived from reaction databases. J. Chem. Inf. Comput. Sci. 1999, 39, 316-325.
-
(1999)
J. Chem. Inf. Comput. Sci
, vol.39
, pp. 316-325
-
-
Satoh, K.1
Funatsu, K.2
-
32
-
-
0000691028
-
Computer-aided synthesis design at RISC-Linz: Automatic extraction and use of reaction classes
-
Blurock, E. S. Computer-aided synthesis design at RISC-Linz: Automatic extraction and use of reaction classes. J. Chem. Inf. Model. 1990, 30, 505-510.
-
(1990)
J. Chem. Inf. Model
, vol.30
, pp. 505-510
-
-
Blurock, E.S.1
-
33
-
-
0022581137
-
-
Wilcox, C. S.; Levinson, R. A. A self-organized knowledge base for recall, design, and discovery in organic chemistry. ACS Symp. Ser. 1986, 306, 209-230.
-
Wilcox, C. S.; Levinson, R. A. A self-organized knowledge base for recall, design, and discovery in organic chemistry. ACS Symp. Ser. 1986, 306, 209-230.
-
-
-
-
34
-
-
84868917575
-
-
CLASSIFY: The Infochem Reaction Classification Program, version 2.9, accessed Dec 16, 2008
-
CLASSIFY: The Infochem Reaction Classification Program, version 2.9. http://infochem.de/content/downloads/classify.pdf (accessed Dec 16, 2008).
-
-
-
-
35
-
-
0007316055
-
Computer-assisted Analysis of Complex Synthetic Problems
-
Corey, E. J. Computer-assisted Analysis of Complex Synthetic Problems. Q. Rev. Chem. Soc 1971, 25, 455-482.
-
(1971)
Q. Rev. Chem. Soc
, vol.25
, pp. 455-482
-
-
Corey, E.J.1
-
36
-
-
85128250950
-
-
3 receptor antagonist: Synthesis and structure-activity relationships. J. Med. Chem. 1992, 35, 310-319.
-
3 receptor antagonist: Synthesis and structure-activity relationships. J. Med. Chem. 1992, 35, 310-319.
-
-
-
|