Hall databases

NIOSH RTECS DD0525000 Chapman Hall Database 1995... 

Dictionary of Alkaloids with CD-ROM, 2nd ed., ed. J. Buckingham et al., CRC Press, 2010. Contains enhanced entries for all alkaloids from the Chapman Hall database (20,000-t alkaloids, comprehensive record). 

Dictionary of Carbohydrates with CD-ROM, 2nd Ed. ed. P. M. Collins, Chapman Hall/ CRC Press, 2005. Contains all the carbohydrates from the Chapman Hall database. 

Several Chapman and Hall databases including ones for organic structures (180,000 structures), inorganic and organometallic structures (40,000 structures), natural products (105,000 structures), and pharmacological agents (22,000 structures)... 

To illustrate how useful the unit-molecular-weight information is in natural product dereplication, Fig. 3A shows the unit-molecular-weight distribution of the approx 78,000 known natural products contained in the Chapman and Hall database (32). It can be seen that, for the reported natural products, determination of the molecular weight will narrow the reported structural possibilities to <800, and the largest number of known natural products that share a common unit molecular weight is only 759 (mol wt = 318). For that molecular weight, there are known natural products that exhibit 45 different empirical (or molecular) formulas, each of which adds up to approx 318 Dalton. 

Chapman Hall Database supplier http //www.chaphall.com/... 

OtherD t b ses. Available from different vendors (Table 8). For example, the researcher can obtain physical properties by usiag the Merck Index Online or the Dictionary of Organic Compounds available by Chapman and Hall Chemical Database. In DIALOG, numeric databases are collected under the name of CHEMPROP. 

Chapman and Hall Chemical Database Chapman and Hall, Ltd. Dialog Dictiona of Organic Compounds (5th ed.), Dictiona of Organometallic Compounds, Carbohydrates, Mmino Mcids, Peptides, Dictionay of Antibiotics and Eelated Compounds, and Dictionay of Organophosphorus Compounds... 

J. MartTQ, Principles of Database Management, Prentice-Hall, Inc., New York, 1976. 

Hall and Mudawar (2000) provided a comprehensive review of the current state of the knowledge of subcooled CHF for water flow boiling in channels, and designed a statistical correlation with five parameters based on almost all available subcooled CHF databases in the literature ... 

Hall, L. H., Kier, L. B. Molecular connectivity chi indices for database analysis and structure-property modeling. In Topological Indices and Related Descriptors in QSAR and QSPR, Devillers,... 

Kelly, S., Foley, B., Dunford, L., Coughlan, S., Tuite, G., Duffy, M., Mitchell, S., Smyth, B., O Neill, H., McKeown, P., Hall, W., and Lynch, M. (2008). Establishment of a national database to link epidemiological and molecular data from norovirus outbreaks in Ireland. Epidemiol. Infect. 136, 1472-1479. 

We thank Professor G. Parkin and C. Zachmanoglou for providing the MLX program and database of transition-metal organometallic compounds taken from the Dictionary of Organometallic Compounds, 2nd edn. (London, Chapman and Hall, 1995). 

Halpin, T. 1995. Conceptual Schema and Relational Database Design. 2nd edition. Prentice Hall, 547p. 

B. Ellis, Ed., Polymers A Property Database, Chapman Hall/CRC Press LLC,... 

Hall et al. (1985) reported that no 1,2-diphenylhydrazine (less than pg/L) was detected in the Nanticoke River near the Chesapeake Bay. The analytical method involved liquid-liquid extraction, concentration, and. analysis by GC/MS. The Contract Laboratory Program statistical database (queried April 13, 1987) reported that 1 2-diphenylhydrazine has been detected n water at i of 357 hazardous waste sites at a concentration of (96 ppb (CLPSDB 1987), and has been reported at 7 of 117, sites. n the national Priority List database (ATSDR 1990) The U.S. EPA Contract laboratory Program uses GC methods to analyze the contaminants of interest. Since 1,2-diphenylhydrazine oxidize, to azobenzene in the GC injector port and both 1,2-diphenylhydrazine and azobenzene, have the same GC retention time and mass spectra, reports of 1,2-diphenylhydrazine from the Contract Laboratory Program may actually represent detections of 1,2-diphenylhydrazine, azobenzene, or both (see Chapter 6 for more details). 

Chapman Hall Chemical Database. 1995. Computer printout for 3,3,-dichlorobenzidine. 

CPDB. 2007 The carcinogenic potency database website, http //potency.berkeley.edu/cpdb.htnil Cramer, G.M., R.A. Ford, and R.A. Hall. 1978. Estimation of toxic hazard - A decision tree approach. Food Cosmet. Toxicol. 16 255-276. 

Hall GC, Luscombe DK, Walker SR. Postmarketing surveillance using a compniterised general practice database. Pharm Med 1988 2 345-51. 

Use of an integrated system incorporating CCC separation, PDA detector, and LC-MS proved to be a valuable tool in the rapid identification of known compounds from microbial extracts.6 This collection of analytical data has enabled us to make exploratory use of advanced data analysis methods to enhance the identification process. For example, from the UV absorbance maxima and molecular weight for the active compound(s) present in a fraction, a list of potential structural matches from a natural products database (e.g., Berdy Bioactive Natural Products Database, Dictionary of Natural Products by Chapman and Hall, etc.) can be generated. Subsequently, the identity of metabolite(s) was ascertained by acquiring a proton nuclear magnetic resonance ( H-NMR) spectrum. 

Tier 2 PRA process involved developing environmental exposure data and chronic toxicity data distributions for individual POPs. The mean concentrations of POPs in local marine water measured at various locations were used as exposure data in the construction of the exposure distribution. The chronic toxicity data distribution was established based on published international acute toxicity data (LC50, EC50) on a variety of aquatic organisms tested in many jurisdictions, drawn primarily from the USEPA ECOTOX database (2002) (available at http //www.epa.gov/ ecotox). If the upper 5th centile of the measured chemical exposure data distribution did not exceed the lower 5th centile of its estimated chronic toxicity distribution, the potential ecological risk posed by the chemical was judged to be tolerable (Hall and Giddings, 2000). 

Tsai, A. Y. H. (1988) Database Systems Management and Use. Prentice-Hall Canada, Scarborough, Ontario. 

Chemweb, available from www.chemweb.com, provides limited access to several databases to registrants free of charge, including basic information in chemical directories, such as the Chapman Hall CRC Combined Chemical Dictionary. No toxicological information is available and access is relatively slow. Retrieval of actual data is subject to purchase. 

Brian Ellis and S. M. Jeffery, Polymers on CD-ROM A Database of Commercial and Scientific Information on Polymers and Polymeric Materials, Chapman Sc Hall, London, 1997. 

Martin, James In "Computer Database Organization" Prentice-Hall, Inc. Englewood Cliffs, New Jersey, 1975. 

Natural product structures were obtained from the Dictionary of Natural Products (DNP, Chapman Hall, n 78 318) and the biologically active Natural Products Database (BNPD, compiled by Berdy of Szenzor Management Consulting Company, Budapest, n=29 432). These two databases cover most of the natural products and their derivatives. 

ChemCore module to three-dimensionalize 2D structures, interfaces to reformat MACCS, SMILES, or DARC-2D databases, ChemDBS-1 module to build 3D databases, and ChemDBS-3D module to search 3D databases. Database searching accounts for conformational flexibility while storing only one conformation. Chapman 8c Hall s 3D Dictionary of Drugs (12,000 medicinally interesting compounds), 3D Dictionary of Natural Products (50,000 antibiotics, alkaloids, and terpenoids), and 3D Dictionary of Fine Chemicals (105,000 organics). 

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