Chemical database mining through entropy-based molecular similarity assessment of randomly generated structural fragment populations

Journal of Chemical Information and Modeling

Volumn 47, Issue 1, 2007, Pages 59-68

  Batista, José ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DATABASE SYSTEMS; ENTROPY; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NATURAL FREQUENCIES; RANDOM PROCESSES;

CHEMICAL DATABASE MINING; CHEMICAL SPACE REPRESENTATIONS; MOLECULAR SIMILARITY ASSESSMENT; RANDOM FRAGMENT POPULATIONS;

DATA MINING;

ORGANIC COMPOUND;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CLASSIFICATION; ENTROPY; FACTUAL DATABASE; TECHNIQUE;

DATABASES, FACTUAL; ENTROPY; METHODS; MOLECULAR STRUCTURE; ORGANIC CHEMICALS;

EID: 33846881583     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci600377m     Document Type: Article

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