Daylight Chemical Information Systems databases

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... 

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. 

The Spresi Database is available from InfoChem GmbFt, Mtinchen, http //www.spresiweb.de/ and from Daylight Chemical Information Systems, http //www.daylight.com/products/ databases/Spresi.html. 

We thank the following Novartis Institutes for BioMedical Research for funding JH MDL Information Systems Inc. for the provision of the MDDR database Barnard Chemical Information Ltd., Daylight Chemical Information Systems Inc., the Royal Society, Tripos Inc. and the Wolfson Foundation for software and laboratory support. 

Medchem (1988) Medchem Database, Release 3.54 of 1988. Daylight Chemical Information System Inc., California. 

Veber DF, Johnson SR, Cheng HY et al. (2002) Molecular properties that influence the oral bioavailability of drug candidates. J Med Chem 45 2615-2623 World Drug Index Database WDI97, Derwent Publications Ltd., distributed by Daylight Chemical Information Systems, Inc... 

The dominance of MDL in compound database management can be illustrated by pointing out that another company. Daylight Chemical Information Systems, which markets database management systems and compound databases, is mentioned in CJACS a total of five times. A Daylight software product called DAYMENUS is mentioned only once, and that was in 1992. THOR, the current name of the database management system, is cited in four papers. 

Spresi Chemical Database, InfoChem GMBH, Grobenzell, Germany and Daylight Chemical Information Systems, Irvine, CA (2002). 

Daylight Chemical Information Systems, Inc. This company provides numerous third-party databases in the Thor format. These include the following ... 

M.J.K is supported by a National Science Foundation graduate fellowship. J.H. is supported by the sixth Framework Program of the European Commission. We are grateful to MDL Information Systems Inc. for the MDDR database Daylight Chemical Information Systems Inc. and OpenEye Scientific Software for software support. We thank John J. Irwin for reading the manuscript and Brian K. Shoichet for mentoring. 

Fig. 9.3. Computer screen for access of the THOR chemical database program from UDRIVE (with permission of Daylight Chemical Information Systems Inc.).

The basis of ALADDIN is the Daylight Chemical Information Systems software, particularly GENIE, a substructure specification language. When GENIE finds a query substructure in an input SMILES structure, it can return to the user those atoms in the structure that correspond to those hit. Since in a MENTHOR database the coordinates of the atoms are stored in the order in which they occur in the SMILES for that molecule, the coordinates of the atoms of interest are thereby identified. Thus, our geometric objects are established from this set of atoms, and geometric tests are performed on them. Steric tests are performed on molecules that meet the geometric criteria. 

Hansch, C. Leo, A. The 1989 edition of the Pomoma College Medicinal Chemistry Project database of measured octanol-water partition coefficients and pKa s distributed by Daylight Chemical Information Systems, Irvine, California. 

For discussions of relative stereochemistry, see the documentation forvarious chemical database systems. For example, MDL stereo-chemistry is described online at http //www. mdli.com/downloads/literature/ctfile.pdf, and Daylight conventions are described at http // WWW. daylight, co m/r el ease/f manuals.html. CAS stereochemical conventions have been described in L. M. Staggenborg in H. Coder, Ed, Recent Advances in Chemical Information, Royal Society of Chemistry, Cambridge, UK, 1998,pp. 89-112. 

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