Combining horizontal and vertical substructure relationships in scaffold hierarchies for activity prediction

Journal of Chemical Information and Modeling

Volumn 51, Issue 2, 2011, Pages 248-257

  Hu, Ye ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

FORECASTING; FORESTRY; TREES (MATHEMATICS);

ACTIVE TARGETS; ACTIVITY PREDICTIONS; MOLECULAR SCAFFOLDS; RULE BASED; STRUCTURAL RELATIONSHIP; SYSTEMATIC EXPLORATION; TREE DATA STRUCTURES;

SCAFFOLDS;

ARTICLE; COMPUTER INTERFACE; DRUG DEVELOPMENT; INFORMATION SCIENCE; METHODOLOGY; STRUCTURE ACTIVITY RELATION;

DRUG DISCOVERY; INFORMATICS; STRUCTURE-ACTIVITY RELATIONSHIP; USER-COMPUTER INTERFACE;

EID: 79952177504     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100448a     Document Type: Article

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