Daylight Chemical Information Systems software

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. 

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... 

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

Daylight software is available from Daylight Chemical Information Systems, Inc., 27401 Los Altos, Suite 360, Mission Viejo, CA 92691. 

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. 

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. 

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. 

Modules in software programs for diversity analysis are for example Selector (Tripos), Jarpat (Daylight Chemical Information Systems), C2-Diversity (Molecular Simulation), and Chem-X (Chemical Design). In the context of management of compound libraries software programs such as Project Library, Legion, or UNITY (all by Tripos) are available. 

Leo, A. In Medchem Software Manual - Release 3.52 Daylight Chemical Information Systems Irvine, CA., 1987 Chaptra 14. 

MEDCHEM Software, Releases 3.54 (VMS version), 1989, and 4.2 (UNIX version), 1992, Daylight Chemical Information Systems, Irvine, CA, USA... 

Medchem Software, Daylight Chemical Information Systems, Irvine, CA 92417, USA. 

While many computational chemistry teams in the pharmaceutical industry have developed proprietary software for analyzing the diversity of libraries, many of them have done so using tools supplied by commercial vendors of computational chemistry software (e.g, Barnard Chemical Information, Chemical Design, Daylight Chemical Information Systems, MDL Information Systems, Molecular Simulations, and Tripos). Some vendors emphasize the importance of 3D descriptors, although 2D descriptors seem to work surprisingly well for certain applications. In the future, key issues are likely to... 

MDL Information Systems MSI companies BIOSYM Technologies Serena Software Chemical Design Ltd. Cambridge Scientific Computing Oxford Molecular Ltd. Daylight Chemical Information BioCAD Gaussian, Inc. Cache Scientific CompuDrug Wavefunction, Inc. 

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