Managing the Combinatorial Explosion

Managing the Combinatorial Explosion

Computer software designed to deal with the large amounts of data generated by chemical and biological research programs is described. The software includes methods for representation of the structural components of combinatorial libraries, enumeration of structures and structure-based searches, and...

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Veröffentlicht in:Journal of Chemical Information and Computer Sciences 1997-01, Vol.37 (1), p.62-70
Hauptverfasser: Leland, Burton A, Christie, Bradley D, Nourse, James G, Grier, David L, Carhart, Raymond E, Maffett, Tim, Welford, Steve M, Smith, Dennis H
Format: Artikel
Sprache:eng
Schlagworte:
chemical structure
Chemical structures
combinatorial libraries
computer software
Computerized information storage and retrieval
information retrieval
information systems
Markush structures
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Beschreibung
Zusammenfassung:Computer software designed to deal with the large amounts of data generated by chemical and biological research programs is described. The software includes methods for representation of the structural components of combinatorial libraries, enumeration of structures and structure-based searches, and comparisons within combinatorial libraries.
ISSN:0095-2338
1549-960X
1520-5142
DOI:10.1021/ci960088t