A chemically intuitive molecular index based on the eigenvalues of a modified adjacency matrix

Quantitative Structure-Activity Relationships

Volumn 16, Issue 4, 1997, Pages 309-314

  Burden, Frank R ^a,b  

^a MONASH UNIVERSITY   (Australia)

^b UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

Activity prediction; Molecular index; Neural network; QSAR

Indexed keywords

COMPUTATIONAL CHEMISTRY;

ACTIVITY PREDICTIONS; ADJACENCY MATRIX; ATOMIC PROPERTIES; BONDING PROPERTY; EIGEN-VALUE; MOLECULAR INDEX; NEURAL-NETWORKS; PERFORMANCE; QSAR;

EIGENVALUES AND EIGENFUNCTIONS;

HYDROCARBON;

ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL BINDING; CHEMICAL STRUCTURE; MATHEMATICAL MODEL; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 0030761121     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.19970160406     Document Type: Article

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