An information-theoretic approach to descriptor selection for database profiling and QSAR modeling

QSAR and Combinatorial Science

Volumn 22, Issue 5, 2003, Pages 487-497

  Godden, Jeffrey W ^a   Bajorath, Jürgen ^a,b  

^a ALBANY MOLECULAR RESEARCH INC   (United States)

^b UNIVERSITY OF WASHINGTON   (United States)

Author keywords

Binary QSAR; Database profiling; Information content; Molecular descriptors; Shannon entropy

Indexed keywords

COMPUTATIONAL CHEMISTRY; DIGITAL COMMUNICATION SYSTEMS; INFORMATION THEORY;

BINARY QSAR; DATABASE PROFILING; DESCRIPTORS; DIGITAL COMMUNICATIONS; ENTROPY CONCEPT; INFORMATION CONTENTS; INFORMATION-THEORETIC APPROACH; MOLECULAR DESCRIPTORS; QSAR MODELING; SHANNON'S ENTROPY;

DATABASE SYSTEMS;

ARTICLE; DATA BASE; ENTROPY; INFORMATION SCIENCE; MATHEMATICAL ANALYSIS; MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 0042171645     PISSN: 1611020X     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.200310001     Document Type: Article

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