Analysis of Reaction Information

Handbook of Chemoinformatics

Volumn 4, Issue , 2008, Pages 1407-1427

  Grethe, Cuenter ^a  

^a MDL Information Systems Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84888628910     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9783527618279.ch43b     Document Type: Chapter

References (23)

1. Searches were carried out using the full set of reaction databases commercially available from MDL Information Systems, Inc., totaling 1.04 million reactions, in combination with MDL's RXL-Browser application.
2. O. Sacher, Dissertation, Friedrich-Alexander-Universität Erlangen-Nürnberg, 2001; http://www2.chemie. uni-erlangen.de/services/dissonline/data/ dissertation/Oliver_Sacher/html/ index.html
3. CLASSIFY, The InfoChem Reaction Classification Program V 2.5, InfoChem GmbH, Munich, Germany, 2002; http://www.infochem.de/ classify.htm
4. A. Kimbaris, G. Varvounis, Tetrahedron 2000, 56, 9675-9682.
5. L. W. Deady, J. Desneves, A. C. Ross, Tetrahedron 1993, 49, 98239828.
6. M. Asami, S. Sato, H. Watanabe, Chem. Lett. 2000, 990-991.
7. S. H. Lee, Y. J. Jung, Y. J. Cho, C.-O. Yoon, H.-J. Hwang, C. M. Yoon, Synth. Commun. 2001, 31, 22512254.
8. M. De Carvalho, M. T. Okamoto, P. J. S. Moran, J. A. R. Rodrigues, Tetrahedron 1991, 47, 2073-2080.
9. The complete set of MDL's reaction databases is classified using InfoChem's CLASSIFY algorithm.
10. Y. Hirai, T. Terada, T. Yamazaki, T. Momose, J. Chem. Soc., Perkin Trans. 1 1992, 509-516.
11. R. A. Bunce, C. L. I. Schilling, Tetrahedron 1997, 53, 9477-9486.
12. Y. Hirai, T. Terada, H. Katoh, S. Sonohara, T. Momose, Heterocycles 1991, 32, 7-10.
13. M. Ihara, Y. Ishida, M. Abe, M. Toyota, K. Fukumoto, J. Chem. Soc, Perkin Trans. 1 1988, 1155.
14. Databases in the Chemlnform Reaction Library are produced by FIZ Chemie Berlin and marketed by MDL Information Systems, Inc.
15. J. jurczak, U. jacobssen, J. izdebski, A. Golebiowski, Heterocycles 1986, 24, 1205.
16. Integrated Major Reference Works is produced by a collaborative effort between MDL Information Systems, InfoChem GmbH, and various publishers, and marketed by MDL.
17. J. Eiblmaier, G. Grethe, H. Kraut, P. Loew, 224th National Meeting of the American Chemical Society, Boston, MA, August 18-22, 2002.
18. L. A. Paquette (Ed.), Encyclopedia of Organic Reagents for Organic Synthesis, John Wiley, Chichester, 1995.
19. L. Chen, J. Gasteiger, J. Am. Chem. Soc. 1997, 119, 4033-4042.
20. H. Satoh, O. Sacher, T. Nakata, L. Chen, J. Gasteiger, K. Funatsu, J. Chem. Inf. Comput. Sci. 1998, 38, 210232.
21. PETRA (Parameter Estimation for the Treatment of Reactivity Applications). This program was developed in J. Gasteiger's group over the last 20 years and is very well suited for the calculation of physicochemical descriptors of large datasets; http:// www2.chemie.uni-erlangen.de/sofiware/ petra/index.html
22. The Theilheimer database is part of MDL® Reference Library of Synthetic Methodology.
23. SPORE is being produced by FIZ Chemie Berlin and MDL Information Systems, Inc., and marketed by MDL.