SARANEA: A freely available program to mine structure-activity and structure-selectivity relationship information in compound data sets

Journal of Chemical Information and Modeling

Volumn 50, Issue 1, 2010, Pages 68-78

  Lounkine, Eugen ^a   Wawer, Mathias ^a   Wassermann, Anne Mai ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; CHEMICAL ANALYSIS; DATA VISUALIZATION; OPEN SOURCE SOFTWARE; TREES (MATHEMATICS);

BIOACTIVE COMPOUNDS; GNU GENERAL PUBLIC LICENSE; INTERACTIVE EXPLORATION; MOLECULAR NETWORKS; NEIGHBORHOOD GRAPHS; SERINE PROTEASE INHIBITOR; STRUCTURE-ACTIVITY RELATIONSHIPS; STRUCTURE-SELECTIVITY RELATIONSHIP;

GRAPH STRUCTURES;

SERINE PROTEINASE; SERINE PROTEINASE INHIBITOR;

ARTICLE; CHEMISTRY; COMPUTER PROGRAM; DATA MINING; ECONOMICS; ENZYME SPECIFICITY; FACTUAL DATABASE; METABOLISM; METHODOLOGY; STRUCTURE ACTIVITY RELATION;

DATA MINING; DATABASES, FACTUAL; SERINE PROTEASES; SERINE PROTEINASE INHIBITORS; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY;

EID: 75749102958     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci900416a     Document Type: Article

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