Evaluation of a novel electronic eigenvalue (EEVA) molecular descriptor for QSAR/QSPR studies: Validation using a benchmark steroid data set

Journal of Chemical Information and Computer Sciences

Volumn 42, Issue 3, 2002, Pages 607-613

  Tuppurainen, Kari ^a   Viisas, Marja ^a   Laatikainen, Reino ^a   Peräkylä, Mikael ^a  

^a UNIVERSITY OF EASTERN FINLAND   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DESCRIPTORS;

COMPUTATIONAL METHODS; EIGENVALUES AND EIGENFUNCTIONS; QUANTUM THEORY; SPECTROSCOPIC ANALYSIS; SURFACE PROPERTIES; VAN DER WAALS FORCES;

MOLECULAR STRUCTURE;

STEROID;

ARTICLE; CHEMISTRY; EVALUATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VALIDATION STUDY;

QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STEROIDS;

EID: 0036557851     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci0103830     Document Type: Article

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