Suppliers Database

Theoretical calculations can also provide physicochemical data, which can be used as an input for 3D-QSAR correlation studies [134,141]. There is a current trend in the area of lead-finding in the pharmaceutical industry to use calculations to set up computer search profiles to be used in the screening of large structural databases, such as the chemical suppliers databases and the internal company databases. 

High-scoring compounds are then prepared and screened in a biochemical assay. Preparing requires either synthesizing or purchasing a sample of the compound. Sample purchase is normally much faster than synthesis. For this reason, compounds in a virtual screen are often limited to structures that can be purchased from any number of commercial suppliers. Databases of available molecules have been prepared for the sole purpose of assisting virtual screening. 

Figure 8 Drug-likeness comparisons from 15 supplier databases (Reproduced with permission of the University of Orleans)...

The majority of the companies listed in Tables 1 and 2 store their available compounds in the form of dry powders (or whatever the natural state is), although samples dissolved in DMSO are becoming more available. For dry, solvent-free compounds selected from a supplier database, the samples will be weighed, usually manually, into cluster tubes or vials before shipping to the end user. This mode of operation may seem tedious, however, it does keep costs down for the preparation of samples for which automated weighing, e.g. of resinous compounds, is profoundly difficult. 

You can estimate the cost of the components from your component supplier database. This will give you a general idea about whether your budget is realistic for your experimental goal. If it is not, you will need to lower the costs of components and/or reevaluate (and perhaps change) your goal. 

What firms who are leaders in the Internet applications are striving to achieve is the transfer of many of their core processes to the Web. This means that firms will need Websites that can support online transactions and can share data with their customers databases and their suppliers database. Past investments in information technology have primarily been focused on improving the internal operations of the firm. The Internet allows increased communication and connection with the outside world. Electronic business allows the benefits of speed and automation of internal processes to be shared with customers and suppliers. The ability to collaborate with others is an additional competitive advantage. 

Factual databases may provide the electronic version of printed catalogs on chemical compoimds. The catalogs of different suppliers of chemicals serve to identify chemical compounds with their appropriate synonyms, molecular formulas, molecular weight, structure diagrams, and - of course - the price. Sometimes the data are linked to other databases that contain additional information. Structure and substructure search possibihties have now been included in most of the databases of chemical suppliers. 

Software manages and tracks MSDS database information by chemical ID, supplier, synonyms, components, registry numbers, completion status, uses, and hazard classes. Subscription updating. Requires 640K memory and hard disk. 

A situation where staff operate under self control is for telephone orders where there is little documentary evidence that a transaction has taken place. There may be an entry on a computer database showing that an order has been placed with a particular supplier. So how would you verify compliance with the requirements of this clause in such circumstances ... 

Provide buyers with read-only access to a list of approved suppliers in the database. 

A number of material suppliers offer information on their products on electronic devices (floppy discs, CDs, etc.) for use on personal computers. An important one, called Campus, is a database concept started by four German material manufacturers who use a uniform software. This database, initially developed jointly by BASF, Bayer, Hoechst, and Hulls, provided for other manufacturers to join. The present consortium has more than 50 materials suppliers worldwide. It is given in the form of diskettes in German, English, French, Italian, or Spanish. Each diskette contains the uniform test and evaluation program and the range of the respective material producers. It runs on IBM-compatible personal computers under the MS-DOS operating system. 

Electronic marketplace/E-commerce In addition to the many databases available and person-to-person contacts, E-commerce in plastics has been conducted through suppliers web sites or the dot-commerce independent web sites that link material buyers with sellers in transactions or auction formats. During the year 2000 five plastic producers/suppliers and various elastomer producers/suppliers created a new and important business model of a joint-venture web site. It provides multiple companies to join forces to do business. This is a strategy some observers call competition and others regard as just another form of selling in. an electronic format. Regardless of how it is perceived, the model will help propel e-commerce into the mainstream of processor procurement due to the size and wealth of the companies involved. The plastic model example is the largest online business-to-business site todate. 

Prospector web Prospector Web is an interactive database used to find and compare plastic materials. You can specify your application requirements to search a catalog of nearly all North American plastics and increasing amounts of plastics data from European and Pacific Rim material suppliers. Materials can be searched by any of 200+ properties, reviewed, sorted, and compared to determine the material best fitted to your needs. Test data is available in both English or Metric units and ASTM or ISO format. Both Prospector Web and its sister product Prospector Desktop come with IDES s exclusive Plastics Materials Hotline to help with questions that may arise. 

CAMPUS, the plastics database CAMPUS is an internationally known database software for plastic materials, developed by close cooperation with leading plastics producing companies. It is available worldwide from leading material suppliers. More than 50 plastics producers are participants of CAMPUS. Information about the latest list of participants and distribution addresses can be found at the CAMPUS homepage http //www.CAMPUSplastics.com/. This web site also includes extensive information about the data content of CAMPUS and links to the participants web sites. It is important to emphasize that only CAMPUS participants distribute CAMPUS diskettes. Each plastic producer distributes his own diskette to his customers without charge. 

CAMPUS uses a uniform database structure and uniform interface for all participating suppliers, with frequent updates of the property data. It allows preselection or screening of materials, suitable for specific applications, from a worldwide range of commercial plastics, while continuously being developed further with respect to its properties base. CAMPUS is based on two international standards for comparable data, that use meaningful properties based on unambiguous selection of specimen types... 

MCBase offers the possibility to load the original CAMPUS data of different suppliers from version 3.0 and higher into one database, which allows direct comparison. It has been developed in close cooperation with the CAMPUS consortium. For more information see http //www.m-base.de/. MCBase is user friendly and offers extremely efficient handling of material data. All CAMPUS options are available define search profiles define and sort tables print tables and data sheets curve overlay scatter plots. In addition MCBase 4.1 offers search in curves search for comparable grades text search update via Internet calculation of simulation parameters. A French version of MCBase is available from the distribution agent in France. 

Search MSDS on CCINFOWeb. All databases on CCINFOWeb may be searched for free. The MSDSs are contributed by North American sources, many that are multi-national companies marketing chemical products worldwide. This database meets a growing international requirement for health and safety information on specific chemical products. It helps thousands of users worldwide manage their responsibilities under workplace, environmental and other right-to-know legislation. The MSDS database can be searched quickly and easily for product names and other product identifications, manufacturer or supplier names, dates of MSDSs, or any term used in the text of the MSDS itself. 

Muscarinic M3 Receptor. A pharmacophore model was derived from known M3 receptor antagonists, using the program DISCO, and 3D searching was performed by Unity 3D in the Astra Charnwood in-house compound repository and the databases of several commercial suppliers. The 172 compounds that fitted the pharmacophore were screened for their M3-antagonistic potency. Several compounds with micromolar and even submicromolar activities resulted, for example, compound 13 (A50 M3 antagonism 0.2pM pA2 = 6.67 Fig. 16.2) [85],... 

Baurin, N., Baker, R., Richardson, C., Chen, I., Foloppe, N., Potter, A., Jordan, A., Roughley, S., Parratt, M., Greany, P., Morley, D., Hubbard, R. E. Drug-like annotation and duplicate analysis of a 23-supplier chemical database totalling 2.7 million compounds. J. Chem. Inf. 

The diversity of suppliers and the difficulty of maintaining up to date lists made the maintenance of print directories difficult and expensive. Most are now either out of print or have migrated to database format. Nevertheless a review of the older directories is interesting, and they should be retained as they provide valuable background reading. 

The revised database holds over 23 000 analyte values for 660 measurands and 1670 reference materials produced by 56 different producers, from 22 countries. The database is restricted to natural matrix materials (i.e. made from naturally occurring materials, excluding calibration standards manufactured from pure chemicals). Information has been extracted from the relevant certificates of analysis, information sheets, and other reports provided by the reference material producers. As a general rule, the authors have only included in the compilation reference materials for which a certificate of analysis or similar documentation is on file. Information included in the survey is on values for measurands determined in reference materials, producers, suppliers, the cost of the materials, the unit size supplied, and the recommended minimum weight of material for analysis, if available. The new searchable database has been designed to help analysts to select reference materials for quality assurance purposes that match as closely as possible, with respect to matrix type and concentrations of the measurands of interest and their samples to be analyzed see Table 8.3. 

A further consideration when combining databases from multiple suppliers is how to identify and deal with redundant compounds. Here, some method of mapping multiple supplier information onto a single compound is needed for efficiency. Generally, all information can be mapped, although some consideration of cost and supplier reliability may allow a hierarchy of supplier information to be applied. 

Fuel costs vary significantly by region, and the numbers in this row assume minimum fuel cost. For a specific application, contact manufacturers of specific equipment to get an idea of fuel consumption. Contact local gas, diesel, or other fuel supplier (or see Department of Energy databases) to get an estimate of what fuel will cost. 

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