Information system, CAS

Ctfile Formats, MDL Information Systems, CA, USA, 1998 http //urww.mdli.com/ downloads/ctftle/cftle subs.html... 

C.K. Johnson, ONRL Report No. 3794, Oak Ridge National Laboratory, Oak Ridge, TN, 1965 abstract available at http //www.umass.edu/molvis/fran-coeur/ortep/ortepabstract.html [5 Ctfile Formats, MDL Information Systems, CA, 1998 http //www.mdli.com/ downloads... 

Storage of Polymer Structures. CAS has developed comprehensive sets of nomenclature rules and structure conventions that have become standards in the world of chemical literature (see Chemical Abstracts Service Information System). CAS selects polymers for indexing according to a set of rules (5). The Registry File records are created from chemical information published in books, patents, dissertations, scientific journal articles, etc. 

Sf The Chemlnjbrm RX reaction database is produced by FIZ Chemie, Berlin, Germany, and marketed by MDL Information Systems, Inc., San Leandro, CA, USA. 

Specinfo, from Chemical Concepts, is a factual database information system for spectroscopic data with more than 660000 digital spectra of 150000 associated structures [24], The database covers nuclear magnetic resonance spectra ( H-, C-, N-, O-, F-, P-NMR), infrared spectra (IR), and mass spectra (MS). In addition, experimental conditions (instrument, solvent, temperature), coupling constants, relaxation time, and bibliographic data are included. The data is cross-linked to CAS Registry, Beilstein, and NUMERIGUIDE. 

DayCart is a software cartridge which offers a range of operation on an Oracle database, such as complete structure, similarity, and substructure search. The software can be obtained from Daylight Chemical Information Systems, Inc. (Mission Viejo CA) URL www.daylight.com... 

Structure and Nomenclature Search System. This system links the collection of chemical databases found in the Chemical Information System (CIS), one of the first interactive systems for stmcture and substmcture searching. References from the separate files can be retrieved by SANSS using CAS Registry Numbers, and the database of stmctures may be searched for stmctures or substmctures. An adaptation of the SANSS software for substmcture searching has been incorporated in the Dmg Information System of the National Cancer Institute for its own use (54). 

Leo, A. J. The MedChem Database, BioByte Corp. and Pomona College, Daylight Chemical Information Systems, Mission Viejo, CA, 2003. 

SPRESI database, distributed by Daylight Chemical Information Systems Inc., Mission Viejo, CA, USA, http //www. daylight.com. 

DAYLIGHT Software 4.41 (1995) Daylight Chemical Information System . Irvine, CA. 

US Environmental Protection Agency (2002) Toxicological review of phenol (CAS No. 108-95-2) EPA/635/R-02/006, In support of summary information on the integrated risk information system (IRIS), Washington DC... 

MEDCHEM, Daylight Chemical Information Systems, Inc., 18500 Von Karman Ave., Suite 450, Irvine, CA 92715. 

Vest, G. 1983. Metallization with generic metallo-organic inks. JPL Proceedings of the Flate-Plate Solar Array Research Forum on Photovoltaic Metallization Systems (NASA Center for AeroSpace Information Pasadena, CA). (Document ID. 19831115). 

The spatial distribution of the resolved components (matrix X) was integrated in the geographical information system ArcGIS (v.9.0, 2005, ESRI, Redlands, CA, USA) and displayed by means of geostatistical techniques [23] in Fig. 14. Note that the spatial distribution displayed by the geographical information system in this work refers to the distribution (scores) of the main underlying multivariate (multicomponent) patterns and sources of contamination resolved by MCR-ALS, which are not directly measurable and which are also of high environmental relevance. 

MACCS stmctural keys, MDL Information Systems Inc., 14600 Catalina Street, San Leandro CA, 94577. 

Chemical Abstracts online and its search module, SciFinder, are available from the American Chemical Society, http //www.cas.org/SCIFINDER/ 2004. The Beilstein Information Systems is available from http //www.beilstein.com/. 

Interestingly, the PRCC is relatively free of compounds that violate Lipinski s Rule of Five (ROF) [15] as shown in Table 13.1. Similar ROF behavior has also been observed by Oprea [16] for other compound databases including the ACD and the MDDR (MDL Drug Data Report, MDL Information Systems, San Leandro, CA). 

Chemical Regulations and Guidelines. 1990. Dialog Information Systems, Inc., Palo Alto, CA. July 19, 1990. 

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