GLARE: A new approach for filtering large reagent lists in combinatorial library design using product properties

Journal of Chemical Information and Modeling

Volumn 46, Issue 4, 2006, Pages 1536-1548

  Truchon, Jean François ^a   Bayly, Christopher I ^a  

^a MERCK FROSST CENTRE FOR THERAPEUTIC RESEARCH   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

DATABASE SYSTEMS; LIBRARIES; PROGRAM PROCESSORS;

COMBINATORIAL LIBRARY; GLOBAL LIBRARY ASSESSMENT OF REAGENTS (GLARE); LIPINSKI RULE; REAGENT SELECTION;

GENETIC ALGORITHMS;

DRUG;

ALGORITHM; ARTICLE; CHEMISTRY; CLUSTER ANALYSIS; COMBINATORIAL CHEMISTRY; STATISTICS;

ALGORITHMS; CLUSTER ANALYSIS; COMBINATORIAL CHEMISTRY TECHNIQUES; PHARMACEUTICAL PREPARATIONS; STOCHASTIC PROCESSES;

EID: 33746891508     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci0504871     Document Type: Article

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39. The workstation used is an IBM Intellistation Pro including dual AMD Opteron 248 processors with a clock speed of 2.6 GHz and 4 GB of PC3200 ECC memory. The board's core logic chipset is an AMD 8000 series with Direct Connect Architecture and HyperTransport Technology. All computations presented in this article were obtained using one CPU.