Molecular “informatics

Bender A, Glen RC. Molecular similarity a key technique in molecular informatics. Org Biomol Chem 2004 2 3204-18. 

Michael Jones, Molecular Informatics, Triangle Molecular, 1818 Airport Road, Chapel Hill, NC 27514, USA. 

The author is grateful to Mr. H. Horiuchi for the preparation of photoelectrochemical cells. Professor S. Yamada for discussion, and Professor Y. Tanimoto and Associate Professor Y. Fujiwara for using the superconducting magnets. The author also thanks The Center of Advanced Instrumental Analysis, Kyushu University, for H-NMR measurements. This study was financially supported by the Grant-in-Aids for Scientific Research Priority Areas (Area 767, No. 15085203) and (Area 432, No. 17034051), Scientific Research (C) (No. 17550131), and twenty first century COE Program Function Innovation of Molecular Informatics from M EXTof the Japan. 

Molecular Informatics Structure and Design Pfizer Global Research and Development Ramsgate Road Sandwich, Kent CT13 9NJ UK... 

Table 1 Commercially and Publicly Available Compound Databases and Molecular Informatics Resources (see Section 5) for Chemogenomics Research. The list is not exhaustive, but rather constitutes a representative compilation of selected examples in this field.

Jacoby E, Schuffenhauer A, Popov M, et al. (2004) Molecular informatics as an enabling in silico technology platform for drug discovery. Chimia 58 577-584. 

Jacoby E, Schuffenhauer A, Addin P. (2004) The contribution of molecular informatics to chemogenomics. Knowledge-based discovery of biological targets and chemical lead compounds. In H Kubini, G Muller (eds), Chemogenomics in Drug Discovery — A Medicinal Chemistry Perspective, pp. 139-166. Wiley-VCH,Weinheim. 

Molecular programming points to a molecular information science, molecular informatics and semiochemistry (see Section 8.5) involving information and signal processing and communication at the molecular and supramolecular levels (see also Section 2.1). The design of molecular information dependent, instructed and functional self-organizing systems reveals new horizons in supramolecular chemistry. 

C. Helma, S. Kramer and L. De Raedt, The molecular feature Miner MOLFEA, in Proceedings of the Beilstein-Institut Workshop, ed. M.G Hicks and C. Kettner, Molecular Informatics Confronting Complexity, Logos Verlag, Berlin, 2003. 

Address Molecular Informatics Group, Eli Lilly and Company, Lilly Research Laboratories, MS 0520, Indianapolis, IN 46285, USA. 

Bender, A. and Glen, R.C. 2004. Molecular similarity key technique in molecular informatics. Org. Biomol. Chem. 2, 3204-3218. 

McNaught, A. The IUPAC International Chemical Identifier InChl a new standard for molecular informatics, Chem. Int. 28(6) 12-14. 

The Contribution of Molecular Informatics to Chemogenomics. Knowledge-based Discovery of Biological Targets and Chemical Lead Compounds... 

H. Matter, T. Naumann, B. Pirard, in Molecular Informatics Confronting Complexity, Proceedings of the International Beilstein Workshop May 2002 (Eds. 

The second section focuses on target families such as kinases (R. Buijsman), ion channel modulators (K.-H. Baringhaus and G. Hessler), and phosphodiesterases (M. Hendrix and C. Kallus). In addition, the contribution of molecular informatics for chemogenomics (E. Jacoby et al.), chemical kinomics (B. Klebl), as well as proteochemometrics (J. Wikberg et al.) are discussed. 

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