Efficient Substructure Searching of Large Chemical Libraries: The ABCD Chemical Cartridge
Author:
Affiliation:
1. Johnson & Johnson Pharmaceutical Research & Development, L.L.C., Welsh & McKean Roads, Spring House, Pennsylvania 19477, United States
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci200413e
Reference53 articles.
1. Friedman, T. L.The world is flat: A brief history of the twenty-first century;Farrar, Straus and Giroux:New York, 2005; p157.
2. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
3. Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited
4. A review of chemical structure retrieval systems
5. Substructure searching methods: Old and new
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