Literature-based generation of hypotheses on chemical composition using database co-occurrence of chemical compounds

Journal of Chemical Information and Modeling

Volumn 45, Issue 5, 2005, Pages 1153-1158

  Milman, Boris L ^a  

^a D I MENDELEYEV INSTITUTE FOR METROLOGY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

DATABASE SYSTEMS; IMPURITIES; PROBABILITY;

IMPURITY COMPOUNDS; MEDIAN VALUES; PROBABILITY SAMPLED COMPOUNDS;

COMPOSITION;

DRUG;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; DRUG CONTAMINATION; FACTUAL DATABASE;

DATABASES, FACTUAL; DRUG CONTAMINATION; MODELS, CHEMICAL; PHARMACEUTICAL PREPARATIONS;

EID: 26944477027     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci049716u     Document Type: Article

References (34)

1. Milman, B. L.; Konopelko, L. A. Identification of Chemical Substances by Testing and Screening of Hypotheses - I. General. Fresenius J. Anal. Chem. 2000, 367, 621-628.
2. Milman, B. L.; Kovrizhnych, M. A. Identification of Chemical Substances by Testing and Screening of Hypotheses - II. Determination of Impurities in n-Hexane and Naphthalene. Fresenius J. Anal. Chem. 2000, 367, 629-634.
3. Hartstra, J.; Franke, J. P.; de Zeeuw, R. A. How to Approach Substance Identification in Qualitative Bioanalysis. J. Chromatogr. B 2000, 739, 125-137.
4. Milman, B. L. A Procedure for Decreasing Uncertainty in the Identification of Chemical Compounds Based on Their Literature Citation and Cocitation. Two Case Studies. Anal. Chem. 2002, 74, 1484-1492.
5. Small, H. Co-citation in the Scientific Literature: A New Measure of the Relationship Between Two Documents. J. Am. Soc. Inf. Sci. 1973, 24, 265-269.
6. Small, H.; Sweeney, E. Clustering the Science Citation Index Using Co-citation I. A Comparison of Methods. Scientometrics 1985, 7, 391 - 409.
7. Small, H.; Sweeney, E.; Greenlee, E. Clustering the Science Citation Index Using Co-citation II. Mapping Science. Scientometrics 1985, 8, 311-340.
8. Milman, B. L.; Gavrilova, Yu. A. Analysis of Citation and Co-citation in Chemical Engineering. Scientometrics 1993, 27, 53-74.
9. Law, J.; Bauin, S.; Courtial, J.-P.; Whittaker, J. Policy and the Mapping of Scientific Change: A Co-word Analysis of Research into Environmental Acidification. Scientometrics 1988, 14, 251-264.
10. Peters, H. P. F.; Hartmann, D.; Van, Raan A. F. J. Monitoring Advances in Chemical Engineering. Informetrics 87/88 1988, 175-195.
11. Milman, B. L.; Gavrilova, Yu. A. Science News in Business Journals as the Source of Information on Applied and Strategic Research and Science Policy (In Russian). Sci. Technol. Inf. I (Moscow) 1994, (7), 17-26.
12. Wolfram, D. Applied Informetrics for Information Retrieval Research; Library Unlimited: Westport, 2003.
13. Smalheiser, N. R.; Swanson, D. R. Using ARROWSMITH: a Computer-Assisted Approach to Formulating and Assessing Scientific Hypotheses. Comput. Methods Programs Biomed. 1998, 57, 149-153.
14. Weeber, M.; Klein, H.; de Jong-van den Berg, L. T. W.; Vos, R. Using Concepts in the Literature-Based Discovery: Simulating Swanson's Raynaud-Fish Oil and Migraine-Magnesium Discoveries. J. Am. Soc. Inform. Sci. Technol. 2001, 52, 548-557.
15. Wren, J. D.; Bekeredjian, R.; Stewart, J. A.; Shohet, R. V.; Garner, H. R. Knowledge Discovery by Automated Identification and Ranking of Implicit Relationships. Bioinformatics 2004, 20, 389-398.
16. Jenssen, T. K.; Oberg, L. M. J.; Andersson, M. L.; Komorowski, J. Methods for Large-Scale Mining of Networks of Human Genes, http://www.siam.org/ meetings/SDM01/pdf/sdm01_10.pdf.
17. Gagliardi, L.; D Orsi, D.; Cavazzutti, G.; Tonelli, D.; Zappoli, S. HPLC Determination of Oxiracetam, its Impurities, and Piracetam in Pharmaceutical Formulations. Anal. Lett. 1994, 27, 879-85.
18. Kafil, J. B.; Dhingra, B. S. Stability-Indicating Method for the Determination of Levodopa, Levodopa-Carbidopa and Related Impurities. J. Chromatogr. A 1994, 667, 175-81.
19. Toscano, Q. L. C.; Romero, M. A. A. Determination of Some Impurities in Technical Grade Chlortoluron by High Performance Liquid Chromatography (in Spanish). Afinidad 1994, 51, 364-8.
20. Klick, S. Evaluation of Different Injection Techniques in the Gas Chromatographic Determination of Thermolabile Trace Impurities in a Drug Substance. J. Pharm. Biomed. Anal. 1995, 13, 563-6.
21. Husain, S.; Khalid, S.; Nagaraju, V.; Rao, R. N. High-Performance Liquid Chromatographic Separation and Determination of Small Amounts of Process Impurities of Ciprofloxacin in Bulk Drugs and Formulations. J. Chromatogr. A 1995, 705, 380-384.
22. Shada, D. M.; Wong, C. F.; Elrod, L.; Morley, J. A.; Gay, C. M. Determination of 1-Benzo[b]thien-2-ylethanone and Related Impurities by High Performance Liquid Chromatography. J. Pharm. Biomed. Anal. 1996, 14, 501-510.
23. Tjornelund, J.; Hansen, S. H. Determination of Impurities in Tetracycline Hydrochloride by Nonaqueous Capillary Electrophoresis. J. Chromatogr. Sci. A 1996, 737, 291-300.
24. Marinkovic, V. D.; Milojkovic, S. S.; Nedeljkovic, J. M.; Comor, J. J.; Agbaba, D.; Zivanov-Stakic, D.; Gas Chromatography Mass Spectrometry Determination of Isosorbide 5-Mononitrate and Related Impurities in Raw Materials and Dosage Formulations. J. Pharm. Biomed. Anal. 1997, 16, 425-429.
25. Coufal, P.; Stulik, K.; Ciaessens, H. A.; Hardy, M. I.; Webb, M. Determination of the Dissociation Constants of Ropinirole and Some Impurities and Their Quantification Using Capillary Zone Electrophoresis. J. Chromatogr. Sci. B 1998, 720, 197-204.
26. Krzek, J.; Starek, M. Densitometric Determination of Active Constituents and Impurities in Complex Analgesic and Antipyretic Pharmaceuticals. J. Planar Chromatogr. - Mod. TLC 1999, 12, 356-360.
27. Li, Q. C.; Tougas, T.; Cohen, K.; Lee, R.; Meagan, P.; Corson, M.; Muchnick, T. Validation of a High-Performance Liquid Chromatography Method for the Assay of and Determination of Related Organic Impurities in Nevirapine Drug Substance. J. Chromatogr. Sci. 2000, 38, 246-254.
28. Hernandez, M.; Borrull, F.; Calull, M. Determination of Oxytetracycline and Some Impurities in Plasma by Non-Aqueous Capillary Electrophoresis Using Solid-Phase Extraction. Chromatographia 2000, 52, 279-284.
29. Gjerde, H.; Snotun, A.; Hem, H.; Larsen, K. H.; Dohl, J. Determination of Mangafodipir Trisodium and Related Impurities in Bulk Substance and Pharmaceutical Formulation by Ion-Pair High-Performance Liquid Chromatography. J. Pharm. Biochem. Anal. 2001, 25, 109-114.
30. Nagaraju, V.; Sreenath, D.; Rao, I. T.; Rao, R. N. Separation and Determination of Synthetic Impurities of Sildenafil (Viagra) by Rreversed-Phase High-Performance Liquid Chromatography. Anal. Sci. 2003, 19, 1007-1011.
31. Chemical Abstracts Service Registry Handbook; American Chemical Society: Columbus, OH, 1965-2002.
32. Thompson, S. K. Sampling; Wiley: New York, 1992.
33. Rouvray, D. H. Definition and Role of Similarity Concepts in the Chemical and Physical Sciences. J. Chem. Inf. Comput. Sci. 1992, 32, 580-586.
34. Chapman, J. R. Practical Organic Mass Spectrometry: A Guide for Chemical and Biochemical Analysis; Wiley: Chichester, 1995.