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NEMA key based exact match searching
This white paper discusses the different cheminformatics technologies developed for the canonical name generation of chemical structures and NEMA keys for quickly and accurately searching registry and retrieval systems.
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Meeting the challenges of representing large, modified biopolymers
This white paper discusses the challenge of developing a chemically-aware method of representating large, modified biopolymers that is meaningful for both biologists and chemists, reduces redundant information and enables the electronic searching of structural features.
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MDL® Isentris®Integration and analysis of scientific information
This white paper explains the business need and technical delivery of Elsevier MDL’s flagship MDL® Isentris®, an informatics system for managing, accessing and analyzing proprietary and commerical information within scientific workflows.
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The Enkfil.dat and Eksfil.dat files
This specialized white paper, written specifically for MDL® ISIS/Host administrators and developers, describes the structure-based keys used in MDL® technology. The Enkfil.dat and Eksfil.dat files specify the structural features that set the keybits.
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MDL's Enhanced Stereochemical Representation
This white paper provides a detailed explanation of the new stereochemical capabilities and how they can be used to best advantage.
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MDL® CTfile Formats
MDL supports a number of file formats for representation and communication of chemical information. This document describes the formats for CTfiles (chemical table files).
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Reoptimization of MDL Keys for Use in Drug Discovery
Reprint from J. Chem. Inf. Comput. Sci. 2002, 42, 1273-1280. Joseph L. Durant, Burton A. Leland, Douglas R. Henry, and James G. Nourse
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Over 20 Years of Reaction Access Systems from MDL: A Novel Reaction Substructure Search Algorithm
Reprint from J. Chem. Inf. Comput. Sci. 2002, 42, 1296-1310. Lingran Chen, James G. Nourse, Bradley D. Christie, Burton A. Leland, and David L. Grier
