Molecular Design Limited

Parallel to that the MDL Molfile format (see the Tutorial in Section 2.4.6) developed at Molecular Design Limited (now MDL Information Systems, Inc.) became a de facto standard file format [50]. 

Dalby A, J G Nourse, W D Hounshell, A K I Gushurst, D L Grier, B A Leland and J Laufer 1991 Description of Several Chemical Structure File Formats Used by Computer Programs Developei at Molecular Design Limited, journal of Chemical Information and Computer Science 32 244-255. 

MACCS/ISIS Databases and DB management systems Daylight Chemical Infor-mation Systems Molecular Design Limited, Inc. (MDLI)... 

Nuclear Magnetic Resonance Spectroscopy. Bmker s database, designed for use with its spectrophotometers, contains 20,000 C-nmr and H-nmr, as weU as a combined nmr-ms database (66). Sadder Laboratories markets a PC-based system that can search its coUection of 30,000 C-nmr spectra by substmcture as weU as by peak assignments and by fiiU spectmm (64). Other databases include one by Varian and a CD-ROM system containing polymer spectra produced by Tsukuba University, Japan. CSEARCH, a system developed at the University of Vieima by Robien, searches a database of almost 16,000 C-nmr. Molecular Design Limited (MDL) has adapted the Robien database to be searched in the MACCS and ISIS graphical display and search environment (63). Projects are under way to link the MDL system with the Sadder Hbrary and its unique search capabiHties. 

B. A., Laufer, J. Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited. J. Chem. Inf. Comput. Sci. 1992, 32, 244-255. 

ADAPT Program (1986) Version 2.0, Molecular Design Limited, San Leandro, CA... 

Molecular Design Limited (MDL) has marketed an Integrated Scientific Information System tlSISt. which provides the capability to query multiple systems, including binary, text, proprietary, and relational databases across glohal networks, thereby providing transparent deskiop access to multiple autonomous data sources. 

The MolFile format is proprietary to Molecular Design Limited. 

Molfile is probably the most common chemical format found on the Internet. Even though Molfile is in fact only the simplest member of a family of related formats known as CTFile formats (Dalby et al. 1992) developed by MDL (Molecular Design Limited), the name Molfile is often used to refer to all the CTFile formats in general. 

Matrix assisted laser desorption ionization - time of flight mass spectrometry MDL Drug Data Report Molecular Design Limited Molecular orbital Mass spectrometry Molecular weight National Cancer Institute Neurokinin... 

The internal representation of molecules is accomplished using the technique developed by Wipke and Dyott (3), and later used by Molecular Design Limited (MDL) in several of their commercial programs. An MDL program, MACCS, is used to graphically input the molecular structure of the compound of interest, then save that structure into a file (molfile). The importation of this file provides CHESS with information such as the number and type of atoms and bonds, as well as stereochemical information. 

Douglas R. Henry Molecular Design Limited 2132 Farallon Drive San Leandro, CA 94577... 

Molecular Design Limited, 2132 Farallon Drive, San Leandro, CA 94577 College of Veterinary Medicine, Oregon State University, Corvallis, OR 97331... 

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