메뉴 건너뛰기




Volumn 37, Issue 6, 1997, Pages 1138-1145

Computer-assisted reaction searching directed toward the synthesis of target molecules

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ANALYSIS; COMPUTER AIDED ANALYSIS; COMPUTER AIDED DESIGN; DATABASE SYSTEMS; MOLECULES; SYNTHESIS (CHEMICAL);

EID: 0031269729     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci970042f     Document Type: Article
Times cited : (5)

References (56)
  • 1
    • 37049231053 scopus 로고
    • Computer-Assisted Design of Complex Organic Molecules
    • Corey, E. J.; Wipke, W. T. Computer-Assisted Design of Complex Organic Molecules. Science 1969, 166, 178-192.
    • (1969) Science , vol.166 , pp. 178-192
    • Corey, E.J.1    Wipke, W.T.2
  • 2
    • 0011362257 scopus 로고
    • 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
  • 3
    • 0025911415 scopus 로고
    • The Logic of Chemical Synthesis: Multiple Synthesis of Complex Carbogenic Molecules (Nobel Lecture)
    • Corey, E. J. The Logic of Chemical Synthesis: Multiple Synthesis of Complex Carbogenic Molecules (Nobel Lecture). Angew. Chem., Int. Ed. Engl. 1991, 30, 455-465.
    • (1991) Angew. Chem., Int. Ed. Engl. , vol.30 , pp. 455-465
    • Corey, E.J.1
  • 5
    • 0004651922 scopus 로고
    • Simulation and Evaluation of Chemical Synthesis-SECS
    • Wipke, W. T.; Ouchi, G. I.; Krishnan, S. Simulation and Evaluation of Chemical Synthesis-SECS. 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
  • 7
    • 33750277010 scopus 로고
    • Organic Synthesis in the Age of Computers
    • Hendrickson, J. B. Organic Synthesis in the Age of Computers. Angew. Chem., Int. Ed. Engl. 1990, 29, 1286-1295.
    • (1990) Angew. Chem., Int. Ed. Engl. , vol.29 , pp. 1286-1295
    • Hendrickson, J.B.1
  • 8
    • 0028195185 scopus 로고
    • Lilith: From Childhood to Adolescence
    • Sello, G. Lilith: From Childhood to Adolescence. J. Chem. Inf. Comput. Sci. 1994, 34, 120-129.
    • (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 120-129
    • Sello, G.1
  • 9
    • 0028272559 scopus 로고
    • Context Description in Synthesis Planning
    • Moll, R. Context Description in Synthesis Planning. J. Chem. Inf. Comput. Sci. 1994, 34, 117-119.
    • (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 117-119
    • Moll, R.1
  • 10
    • 5244222119 scopus 로고
    • Synthesis Simulation by Synthon Substitution
    • Weise, A. Synthesis Simulation by Synthon Substitution. J. Chem. Inf. Comput. Sci. 1990, 30, 490-491.
    • (1990) J. Chem. Inf. Comput. Sci. , vol.30 , pp. 490-491
    • Weise, A.1
  • 11
    • 0011383493 scopus 로고
    • A Collection of Computer Methods for Synthesis Design and Reaction Prediction
    • Gasteiger, J.; Ihlenfeldt, W.-D.; Rose, P. A Collection of Computer Methods for Synthesis Design and Reaction Prediction. Recl. Trav. Chim. Pays-Bas 1992, 111, 270-290.
    • (1992) Recl. Trav. Chim. Pays-Bas , vol.111 , pp. 270-290
    • Gasteiger, J.1    Ihlenfeldt, W.-D.2    Rose, P.3
  • 13
    • 33751149652 scopus 로고
    • Computer-Assisted Planning of Organic Synthesis: The Second Generation of Programs
    • Ihlenfeldt, W. D.; Gasteiger, J. Computer-Assisted Planning of Organic Synthesis: The Second Generation of Programs. Angew. Chem., Int. Ed. Engl. 1995, 34, 2613-2633.
    • (1995) Angew. Chem., Int. Ed. Engl. , vol.34 , pp. 2613-2633
    • Ihlenfeldt, W.D.1    Gasteiger, J.2
  • 14
    • 85033174599 scopus 로고    scopus 로고
    • MDL Information Systems, Inc.: San Leandro, CA
    • REACCS: REaction ACCess System; MDL Information Systems, Inc.: San Leandro, CA.
    • REACCS: REaction ACCess System
  • 15
    • 85033183143 scopus 로고    scopus 로고
    • Distributed Chemical Graphics Inc.: Philadelphia, PA
    • SYNLIB: SYNthesis LIBrary; Distributed Chemical Graphics Inc.: Philadelphia, PA.
    • SYNLIB: SYNthesis LIBrary
  • 17
    • 0024065479 scopus 로고
    • Chemical Reaction Searching Compared in REACCS, SYNLIB, and ORAC
    • Borkent, J. H.; Oukes, F.; Noordik, J. H. Chemical Reaction Searching Compared in REACCS, SYNLIB, and ORAC. J. Chem. Inf. Comput. Sci. 1988, 28, 148-150.
    • (1988) J. Chem. Inf. Comput. Sci. , vol.28 , pp. 148-150
    • Borkent, J.H.1    Oukes, F.2    Noordik, J.H.3
  • 18
    • 5244364974 scopus 로고
    • Reaction Search Strategies Using REACCS
    • Mills, J. E. Reaction Search Strategies Using REACCS. Am. Lab. 1988, 20(2), 154-159.
    • (1988) Am. Lab. , vol.20 , Issue.2 , pp. 154-159
    • Mills, J.E.1
  • 19
    • 0000544849 scopus 로고
    • Similarity Searching in REACCS. A New Tool for the Synthetic Chemist
    • Grethe, G.; Moock, T. E. Similarity Searching in REACCS. A New Tool for the Synthetic Chemist. J. Chem. Inf. Comput. Sci. 1990, 30, 511-520.
    • (1990) J. Chem. Inf. Comput. Sci. , vol.30 , pp. 511-520
    • Grethe, G.1    Moock, T.E.2
  • 20
    • 0011927432 scopus 로고
    • Status and Future Development of Reaction Databases and Online Retrieval Systems
    • Barth, A. Status and Future Development of Reaction Databases and Online Retrieval Systems. J. Chem. Inf. Comput. Sci. 1990, 30, 384-393.
    • (1990) J. Chem. Inf. Comput. Sci. , vol.30 , pp. 384-393
    • Barth, A.1
  • 21
    • 0000777061 scopus 로고
    • CASREACT: More than a Million Reactions
    • Blake, J. E.; Dana, R. C. CASREACT: More than a Million Reactions. J. Chem. Inf. Comput. Sci. 1990, 30, 394-399.
    • (1990) J. Chem. Inf. Comput. Sci. , vol.30 , pp. 394-399
    • Blake, J.E.1    Dana, R.C.2
  • 22
    • 0011958311 scopus 로고
    • ChemInform: An Integrated Information System on Chemical Reactions
    • Parlow, A.; Weiske, C. ChemInform: An Integrated Information System on Chemical Reactions. J. Chem. Inf. Comput. Sci. 1990, 30, 400-402.
    • (1990) J. Chem. Inf. Comput. Sci. , vol.30 , pp. 400-402
    • Parlow, A.1    Weiske, C.2
  • 23
    • 85033182533 scopus 로고    scopus 로고
    • InfoChem GmbH: Munich, Germany
    • This database is derived from: VINITI/ZIC file; InfoChem GmbH: Munich, Germany.
    • VINITI/ZIC File
  • 24
    • 0028272558 scopus 로고
    • The Beilstein Information System Is Not a Reaction Database, or Is It?
    • Jochum, C. The Beilstein Information System Is Not a Reaction Database, or Is It? J. Chem. Inf. Comput. Sci. 1994, 34, 71-73.
    • (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 71-73
    • Jochum, C.1
  • 25
    • 0000886572 scopus 로고    scopus 로고
    • Caught in a CrossFire: Academic Libraries and Beilstein
    • Wiggins, G. Caught in a CrossFire: Academic Libraries and Beilstein. J. Chem. Inf. Comput. Sci. 1996, 36, 764-769.
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 764-769
    • Wiggins, G.1
  • 27
    • 85033184572 scopus 로고    scopus 로고
    • note
    • ISIS (Integrated Scientific Information System) is a client-server software system consisting of ISIS/Draw and ISIS/Base which make up the client and ISIS/Host on the server. For more information, contact MDL Information Systems, Inc.: San Leandro, CA.
  • 28
    • 85033160653 scopus 로고    scopus 로고
    • note
    • The MDL Reaction Library in our collection includes RefLib 95.1, ORGSYN 95.1, REACCS-JSM 95.1, CHC 92.2.2, CSM 95.2, ChemInform RX 92.1.3, ChemInform RX 93.1.1, ChemInform RX 94.1.1, and ChemInform RX 95.1.1.
  • 29
    • 85033179257 scopus 로고    scopus 로고
    • InfoChem GmbH: Munich, Germany
    • ChemSynth is a subset of ChemReact derived from the VINITI/ZIC database, InfoChem GmbH: Munich, Germany.
    • VINITI/ZIC Database
  • 30
    • 84931168803 scopus 로고
    • The Disconnection Approach
    • John Wiley & Sons: New York
    • Warren, S. The Disconnection Approach. Organic Synthesis; John Wiley & Sons: New York, 1982; pp 1-5.
    • (1982) Organic Synthesis , pp. 1-5
    • Warren, S.1
  • 34
    • 85033180232 scopus 로고    scopus 로고
    • Mitsui Petrochemical-Industry Ltd. Jpn. Pat. JP06279429-A, 1994
    • Mitsui Petrochemical-Industry Ltd. Jpn. Pat. JP06279429-A, 1994.
  • 35
    • 85033180550 scopus 로고    scopus 로고
    • Nippon Kayaku K. K. Jpn. Pat. JP06329659-A, 1995
    • Nippon Kayaku K. K. Jpn. Pat. JP06329659-A, 1995.
  • 36
    • 85033164338 scopus 로고    scopus 로고
    • Eur. Pat. EP-447056-A, 1994
    • Cary, G. E.; Quinn, N. R. Eur. Pat. EP-447056-A, 1994.
    • Cary, G.E.1    Quinn, N.R.2
  • 37
    • 85033165517 scopus 로고    scopus 로고
    • Bristol-Myers Squibb Co. Eur. Pat. EP-629619-A1, 1994
    • Bristol-Myers Squibb Co. Eur. Pat. EP-629619-A1, 1994.
  • 38
    • 85033165812 scopus 로고    scopus 로고
    • ADIR & CIE. Jpn. Pat. JP95005589-B2, 1995
    • ADIR & CIE. Jpn. Pat. JP95005589-B2, 1995.
  • 39
    • 0029815930 scopus 로고    scopus 로고
    • Myocardial Protection with the ATP-Sensitive Potassium Channel Openers
    • Atwal, K. S. Myocardial Protection with the ATP-Sensitive Potassium Channel Openers. Curr. Med. Chem., 1996, 3, 227-238.
    • (1996) Curr. Med. Chem. , vol.3 , pp. 227-238
    • Atwal, K.S.1
  • 40
    • 77957080933 scopus 로고
    • The Chemistry of Hydantoins
    • Katritzky, A. R., Ed.; Academic Press: New York
    • Lopez, C. A.; Trigo, G. G. The Chemistry of Hydantoins. Advances in Heterocyclic Chemistry; Katritzky, A. R., Ed.; Academic Press: New York, 1985; Vol. 38, pp 177-228.
    • (1985) Advances in Heterocyclic Chemistry , vol.38 , pp. 177-228
    • Lopez, C.A.1    Trigo, G.G.2
  • 41
    • 0020355938 scopus 로고
    • Synthesis of Optically Active Spirohydantoins by Asymmetric Induction
    • Sarges, R.; Howard, H. R.; Kelbaugh, P. R. Synthesis of Optically Active Spirohydantoins by Asymmetric Induction. J. Org. Chem. 1982, 47, 4081-4085.
    • (1982) J. Org. Chem. , vol.47 , pp. 4081-4085
    • Sarges, R.1    Howard, H.R.2    Kelbaugh, P.R.3
  • 42
    • 0344150998 scopus 로고
    • An Improved Conversion of 1,4,6-Trisubstituted 2(1H)-Pyrimidinones into the Corresponding Thiones
    • Katoh, A.; Kashima, C.; Omote, Y. An Improved Conversion of 1,4,6-Trisubstituted 2(1H)-Pyrimidinones into the Corresponding Thiones. Heterocycles 1982, 19 (12), 2283-2286.
    • (1982) Heterocycles , vol.19 , Issue.12 , pp. 2283-2286
    • Katoh, A.1    Kashima, C.2    Omote, Y.3
  • 43
    • 85066068958 scopus 로고
    • A Simple Synthesis of 4-Chromanones
    • Kabbe, H. J. A Simple Synthesis of 4-Chromanones. Synthesis 1978, 886-887.
    • (1978) Synthesis , pp. 886-887
    • Kabbe, H.J.1
  • 45
    • 85033173528 scopus 로고    scopus 로고
    • Cyanamid Agricultural Research Center, Princeton, NJ
    • 44 to include XSCL for in-house use. Thoennes, F.; Caruso, M. Cyanamid Agricultural Research Center, Princeton, NJ.
    • Thoennes, F.1    Caruso, M.2
  • 47
    • 85033163398 scopus 로고    scopus 로고
    • 22 (FIZ Chemie)
    • 22 (FIZ Chemie).
  • 48
    • 5244359042 scopus 로고
    • MDL Databases: Where to Find the Right Answers. Combinatorial Chemistry
    • MDL Databases: Where to Find the Right Answers. Combinatorial Chemistry, Special Supplement; Furtado, M., Ed. Mol. Connection. MDL Newsl. Comm. Customers 1995, 14 (1), 6-8.
    • (1995) Mol. Connection. MDL Newsl. Comm. Customers , vol.14 , Issue.1 SPECIAL SUPPL. , pp. 6-8
    • Furtado, M.1
  • 51
    • 0026031332 scopus 로고
    • Synthetic Studies on (+)-Hydantocidin (1): A Total Synthesis of (+)-Hydantocidin, A New Herbicidal Metabolite from Microorganism
    • Mio, S.; Ichinose, R.; Goto, K.; Sugai, S.; Sato, S. Synthetic Studies on (+)-Hydantocidin (1): A Total Synthesis of (+)-Hydantocidin, A New Herbicidal Metabolite From Microorganism. Tetrahedron 1991, 47, 2111-2120.
    • (1991) Tetrahedron , vol.47 , pp. 2111-2120
    • Mio, S.1    Ichinose, R.2    Goto, K.3    Sugai, S.4    Sato, S.5
  • 52
    • 0027375207 scopus 로고
    • Stereoselective Synthesis of (+)-Hydantocidin
    • Chemla, P. Stereoselective Synthesis of (+)-Hydantocidin. Tetrahedron Lett. 1993, 34, 7391-7393.
    • (1993) Tetrahedron Lett. , vol.34 , pp. 7391-7393
    • Chemla, P.1
  • 53
    • 0028362221 scopus 로고
    • Stereoselective Bromination of beta-Ribofuranosyl Amide. Enantioselective Synthesis of (+)-Hydantocidin
    • Harrington, P. M.; Jung. M. E. Stereoselective Bromination of beta-Ribofuranosyl Amide. Enantioselective Synthesis of (+)-Hydantocidin. Tetrahedron Lett. 1994, 29, 5145-5148.
    • (1994) Tetrahedron Lett. , vol.29 , pp. 5145-5148
    • Harrington, P.M.1    Jung, M.E.2
  • 54
    • 85033166866 scopus 로고    scopus 로고
    • Beilstein Informationssysteme GmbH: Frankfurt, Germany
    • CrossFireplusReactions; Beilstein Informationssysteme GmbH: Frankfurt, Germany.
    • CrossFireplusReactions
  • 55
    • 85033186477 scopus 로고    scopus 로고
    • CASREACT on STN International and SciFinder; Chemical Abstracts Service: Columbus, OH
    • CASREACT on STN International and SciFinder; Chemical Abstracts Service: Columbus, OH.
  • 56
    • 85033161638 scopus 로고    scopus 로고
    • ChemPrep Reaction CD-ROM; Institute for Scientific Information: Philadelphia, PA
    • ChemPrep Reaction CD-ROM; Institute for Scientific Information: Philadelphia, PA.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.