Databases of Chemical Reactions

Handbook of Chemoinformatics

Volumn 2, Issue , 2008, Pages 667-699

  Zass, Engelbert ^a  

^a ETH ZURICH   (Switzerland)

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Indexed keywords

EID: 33845336307     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9783527618279.ch24     Document Type: Chapter

References (106)

1. E. Zass, Reaction Databases, in Encyclopedia of Computational Chemistry, P. V.R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, P. R. Schreiner (Eds.), J. Wiley and Sons, Chichester (UK), 1998, Vol. 4, 2402-2420 (http://www.mnv.interscwnce.wiley.com/ecc/articles/cda005/frame.html).
2. A. J. Beach, H. F. Dabek Jr., N. L. Hosansky, J. Chem. Inf. Comput. Sci. 1979, 19, 149-155.
3. P. Willett (Ed.), ModernApproaches to Chemical Reaction Searching, Gower, Aldershot (UK), 1986.
4. E. Zass, J. Chem. Inf. Comput. Sci. 1990, 30, 360-372.
5. A. Barth, J. Chem. Inf. Comput. Sci. 1990, 30, 384-393.
6. D. Bawden, Chemical reaction information, J. Ash, W. A. Warr, P. Willett (Eds.), Chemical Structure Systems, Horwood, Chichester (UK), 1991.
7. P. Bador, M. N. Surrel, New J. Chem. 1992, 16, 413-423.
8. M. A. Ott, J. H. Noordik, Recl. Trav. Chim. Pays-Bas 1992, 111, 239-246.
9. G. Grethe, Curr. Opin. Drug Discovery Dev. 1999, 2, 209-212.
10. Houben-Weyl Methods of Organic Chemistry: http://www.thieme-chemistry.com/thieme-chemistry/hw/info/. The 5th edition of Houben-Weyl is available in print as well as Science of Synthesis database since summer 2002, see http://www.science-of-synthesis.com/thieme-chemistry/sos/info/electronic/index.shtml.
11. Theilheimer's Synthetic Methods of Organic Chemistry: http://content.karger.com/ProdukteDB/produkte.asp?Aktion=showproducts& ProduktNr=223991&searchWhat= bookseries&ContentOnly=false.
12. G. W. A. Milne, S. R. Heller, A. E. Fein, E. F. Frees, R. G. Marquart, J. A. McGill, J. A. Miller, S. S. Spiers, J. Chem. Inf. Comput. Sci. 1978, 18, 181-186.
13. S. R. Heller, Online Inf. 1983, 7, 81-89 (http://www.hellers.com/steve/resume/p92.html).
14. A. F. Finch, J. Chem. Inf. Comput. Sci. 1986, 26, 17-22.
15. E. Zass, S. Müller, Chimia 1986, 40, 38-50.
16. J. H. Borkent, F. Oukes, J. H. Noordik, J. Chem. Inf. Comput. Sci. 1988, 28, 148-150.
17. D. F. Chodosh, J. Hill, L. Shpilsky, W. L. Mendelson, Recl. Trav. Chim. Pay-Bas 1992, 111, 247-254.
18. REACCS (now replaced by MDL ISIS, cf. [23]): S. E. French, CHEMTECH 1987, 17, 106-111.
19. A. P. Johnson, Chem Br. 1985, 23(1), 59, 62-64, 66-67.
20. CASREACT: http://www.ccas.org/CASFILES/casreact.html; STN CASREACT: http://www.cas.org/CASFILES/casreact.html. J. E. Blake, R. C. Dana, J. Chem. Inf. Comput. Sci. 1990, 30, 394-399.
21. STN ChemReact: http://www.cas.org/ONLINE/DBSS/chemreactss.html.
22. InfoChem/Springer ChemReact: http://www.springer.de/chem/newmedia/infochem/index.html.
23. D. Schinzer, Nachr. Chem. Tech. Lab. 1993, 41, 826828.
24. MDL CrossFire Beilstein: http://www.mdli.com/products/xfirebeilstein. html.
25. M. G. Hicks, J. Chem. Inf. Comput. Sci. 1997, 30, 352-359.
26. C. Jochum, J. Chem. Inf. Comput. Sci. 1994, 34, 71-73.
27. M. G. Hicks, J. Chem. Inf. Comput. Sci. 1997, 37, 146-147.
28. E. Zass, Using the Beilstein Reaction Database in an Academic Environment, S. R. Heller (Ed.), The Beilstein System. Strategies for Effective Searching, American Chemical Society, Washington DC, 1998, 99-131.
29. J. Coste, O. Gien, A. Dietz, C. Laurenço, Actual. Chim. 1999, 7, 27-32.
30. M. G. Hicks J. Chem. Inf. Comput. Sci. 1997, 37, 146-147.
31. E. Zass, Using the Beilstein Reaction Database in an Academic Environment, S. R. Heller (Ed.), The Beilstein System. Strategies for Effective Searching, American Chemical Society, Washington DC, 1998, 99-131.
32. J. Coste, O. Gien, A. Dietz, C. Laurenço, Actual. Chim. 1999, 7, 27-32
33. (http://www.cas.org/New1/student.html).
34. MDL Reaction Browser: http://www. mdli.com/products/rxnbrowser.html. S. Tseng, J. Chem. Inf. Comput. Sci. 1997, 37, 1138-1145.
35. MDL CrossFire Gmelin: http://www.beilstein.com/products/xfire/gmelin.shtml; http://www.mdli.com/products/xfiregmelin.html.
36. CAS SciFinder: http://www.cas.org/SCIFINDER/scicover2.html.
37. CAS SciFinder Scholar: http://www.cas.org/SCIFINDER/SCHOLAR/index.html.
38. D. Ridley, Information Retrieval. SciFinder and SciFinder Scholar, J. Wiley and Sons, Chichester (UK), 2002. For reaction searching in SciFinder (Scholar)
39. D. D. Ridley, J. Chem. Inf. Comput. Sci. 2000, 40, 1077-1084.
40. STN (Scientific and Technical Network) International: http://www.stn-international.de.
41. Derwent Journal of Synthetic Methods: http://www.derwent.com/derwent-jsm/index.html; manual: http://www.derwent.com/data/Djsm_int.pdf
42. MDL ISIS: http://www.mdli.com/products/isis.html.
43. G. Grethe, From Hardcopy to Electronic Reaction Classification and Beyond: Increasing the Effectiveness of Reaction Retrieval for the Synthetic Chemist, H. R. Collier (Ed.), Proc. 1995, Int. Chem. Inf. Conf. Nimes 1995; Infonortics Ltd., Calne (UK), 1995, 40-47.
44. G. Grethe, A. Lawson, Reaction Information Requirements for the Synthetic Chemist, H. Collier (Ed.), Proc. Int. Chem. Inf. Conf. Nimes 1998, Infonortics Ltd., Tetbury (UK), 1998, 154-165.
45. MDL Journal of Synthetic Methods: http://www.mdli.com/products/rx-jsm.html.
46. STN DJSM: http://www.stn-international.de/stndatabases/databases/djsmonli.html.
47. A. Parlow, C. Weiske, J. Gasteiger, J. Chem. Inf. Comput. Sci. 1990, 30, 400-402.
48. J. Gasteiger, C. Weiske, Nachr. Chem. Tech. Lab. 1992, 40, 1114-1120.
49. FIZ (Fachinformationszentrum) Chemie: http://www.fiz-chemie.de
50. MDL ChemInform Reaction Library (CIRX): http://www.mdli.com/products/cheminform.html.
51. ChemInform print edition: http://www.fiz-chemie.de/de/katalog/organic/organic_cheminfo.html
52. http://www.wiley-vch.de/publish/en/journals/alphabeticIndex/2073/; the printed ChemInform covers about 200 journals, twice as many as the database.
53. C. Pilger, G. Fels, Nachr. Chem. Tech. Lab. 1997, 45, 795-797.
54. STN ChemInformRX: http://www.stn-international.de/stndatabases/databases/cheminfo.html.
55. MDL Current Synthetic Methodology (CSM): http://www. mdli.com/products/csm.html.
56. ISI Current Chemical Reaction: http://www.isinet.com/isi/products/chem/ccr/index.html.
57. ISI Chem Prep: http://www.isinet.com/isi/products/chem/chemprep/.
58. CambridgeSoft chemical databases: http://www.cambridgesoft.com/databases/chemicaldb.cfm.
59. ISI (Institute for Scientific Information): http://www.isinet.com/isi/.
60. ISI Reaction Citation Index: http://www.isinet.com/isi/products/chem/rci/sindex.html.
61. http://www.isinet.com/isi/hot/essays/chemicalliterature/15.html.
62. R. Kimberly, R. love, G. Banik, B. Lawlor, Implementation of an Alternative Approach to Searching Chemical Reaction Databases, H. R. Collier (Ed.), Proc. 1994 Int. Chem. Inf. Conf. Annecy 1994, Infonortics Ltd., Calne (UK), 1994, 42-52.
63. ISI Reaction Center: http://www.isinet.com/isi/products/chem/chemserver/reactioncenter/index.html.
64. RSC Methods in Organic Synthesis (print version): http://www.rsc.org/CFSLD/DisplayProduct.cfm?TYPE= Search&RefNo=36.
65. Accelrys: http://www.accelrys.com/(home page); http://www.accelrys.com/chem_db/index.html (databases).
66. Accelrys Methods in Organic Synthesis: http://www.accelrys.com/chem_db/mos.html.
67. MDL Reference Library of Synthetic Methodology (RefLib): http://www.mdli.com/products/reflib.html.
68. InfoChem: http://www.infochem.de/.
69. Daylight ChemReact97 and ChemSynth97: http://www.daylight. com/products/databases/ChemReact. html: http://www.daylight.com/products/databases/ChemReact.html.
70. Daylight SPRESI: http://www.daylight. com/products/databases/Spresi.html (SPRESI 95); http://www.daylight.com/products/databases/SpresiPreps.html (SPRESI 95 Preps); http://www. daylight.com/products/databases/SpresiReact.html (SPRESIReact).
71. InfoChem SPRESIweb: http://www.spresiweb.de/.
72. MDL Information Systems: http://www.mdli.com/
73. MDL Integrated Major Reference Works: http://www.mdli.com/products/imrw.html.
74. e-EROS (Encyclopedia of Reagents for Organic Synthesis): http://www.mrw. interscience.wiley.com/eros/index.html.
75. Chemical Abstracts Service (CAS): http://www.cas.org/.
76. Chemical Abstracts: http://www.cas.org/PRINTED/printca.html.
77. STN Registry: http://www.stn-international.de/stndatabases/databases/registry.html; cf. also http://www.cas.org/EO/regsys.html.
78. This is only possible in STN CASREACT, not in SciFinder (Scholar) that as an end-user system does not provide the same full functionality for searching as does STN.
79. P. E. Blower Jr., G. J. Myatt, M. W. Petras, J. Chem. Inf. Comput. Sci. 1997, 37, 54-58.
80. For functional group searching in SciFinder (Scholar), see http://www.cas.org/SCIFINDER/CENTRAL/SOLUTIONS/react3.html
81. http://www.cas.org/SCIFINDER/grouptrans.html.
82. M. Clark, J. Chem. Inf. Comput. Sci. 1999, 39, 635-637.
83. E. Zass, unpublished data taken from CrossFire Beilstein update BS0203, Nov. 2002.
84. J. -W. Boiten, M. A. Ott, J. H. Noordik, J. Chem. Inf. Comput. Sci. 1995, 35, 115-120.
85. F. A. Parkar, D. Parkin, J. Chem. Inf. Comput. Sci. 1999, 39, 281-288.
86. J. B. Hendrickson, L. Zhang, J. Chem. Inf. Comput. Sci. 2000, 40, 380-383.
87. B. Rohde, Reaction Type Informetrics of Chemical Reaction Databases: How 'Large' is Chemistry?, H. Collier (Ed.), Further Advances in Chemical Information [Roy. Soc. Chem. Spec. Publ. 142; Proc. Montreux Int. Chem. Inf. Conf, Annecy 1993]; Royal Society of Chemistry, London, 1994, 109-127.
88. MDL Organic Syntheses: http://www.mdli.com/products/orgsyn.html.
89. Organic Syntheses: http://www.orgsyn.org/. See also http://www.cambridgesoft.com/about/pr/02_OrganicSynthesesWeb_Aug2001.html.
90. MDL Comprehensive Heterocyclic Chemistry: http://www.mdli.com/products/chc.html.
91. Wiley InterScience Reference Works: http://www3.interscience.wiley.com/reference.html.
92. Fiesers' Reagents for Organic Synthesis: http://www.wileyeurope.com/cda/product/00471429821,00.html.
93. Accelrys Protecting Groups: http://www.accelrys.com/chem_db/protectgrps. html.
94. Accelrys BioCatalysis: http://www.accelrys.com/chem_db/biocat.html.
95. Accelrys Metabolism: http://www. accelrys.com/chem_db/metabolism.html.
96. MDL Metabolite Database: http://www.mdli.com/products/metabolite.html.
97. Accelrys Solid-Phase Synthesis: http://www.accelrys.com/chem_db/sps.html.
98. MDL Solid-Phase Organic Reactions (SPORE): http://www.mdli.com/products/spore.html.
99. S. Patai, The Chemistry of Functional Groups: http://www.wileyeurope. com/cda/product/0"0471930229,00. html.
100. MDL Available Chemicals Directory: http://www.mdli.com/products/acd.html (MDL ISIS); http://www.daylight.com/products/databases/ACD.html (Daylight).
101. CAS CHEMCATS: http://www.cas.org/CASFILES/chemcats.html. STN CHEMCATS: http://www.stn-international.de/stndatabases/databases/chemcats.html.
102. STN CSCHEM: http://www.stn-intemational.de/stndatabases/databases/cschem.html; STN CSCORP: http://www.stn-international.de/stndatabases/databases/cscorp.html.
103. Chem Sources: http://www.chemsources. com/
104. CambridgeSoft ChemACX (Available Chemicals Exchange): http://www.cambridgesoft.com/databases/chemacxdb.cfm.
105. B. Christie, T. Moock, Multistep Reaction Schemes in the Reaction Access System (REACCS), W. A. Warr (Ed.), Chemical Structures 2; Springer, Berlin, 1993, 469-483.
106. P. E. Blower Jr., S. W. Chapman, R. C. Dana, H. J. Erisman, D. E. Hartzler, Machine Generation of Multi-Step Reactions in a Document from Single-Step Input Reactions, W. A. Warr (Ed.), Chemical Structures, Springer, Berlin, 1988, 399-407.