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
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container_end_page 70
container_issue 1
container_start_page 62
container_title Journal of Chemical Information and Computer Sciences
container_volume 37
creator Leland, Burton A
Christie, Bradley D
Nourse, James G
Grier, David L
Carhart, Raymond E
Maffett, Tim
Welford, Steve M
Smith, Dennis H
description 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.
doi_str_mv 10.1021/ci960088t
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identifier ISSN: 0095-2338
ispartof Journal of Chemical Information and Computer Sciences, 1997-01, Vol.37 (1), p.62-70
issn 0095-2338
1549-960X
1520-5142
language eng
recordid cdi_proquest_miscellaneous_57397279
source ACS Publications
subjects chemical structure
Chemical structures
combinatorial libraries
computer software
Computerized information storage and retrieval
information retrieval
information systems
Markush structures
Searching
title Managing the Combinatorial Explosion
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