Uniform-length molecular descriptors for quantitative structure-property relationships (QSPR) and quantitative structure-activity relationships (QSAR): Classification studies and similarity searching

TrAC - Trends in Analytical Chemistry

Volumn 18, Issue 1, 1999, Pages 36-46

  Baumann, Knut ^a  

^a UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

EVA descriptor; Molecular descriptor; Molecular transform; Start end vector; Structure representation; Weighted holistic invariant molecular index; Zups

Indexed keywords

CHEMICAL ANALYSIS; CHEMICAL COMPOUNDS; CHROMATOGRAPHIC ANALYSIS; ELECTRONIC PROPERTIES; HYDROPHOBICITY; MOLECULAR STRUCTURE; NUMERICAL METHODS; PHYSICAL PROPERTIES; SPECTRUM ANALYSIS; VECTORS;

GEOMETRIC FEATURES; MOLECULAR DESCRIPTORS; START END VECTOR; WEIGHTED HOLISTIC INVARIANT MOLECULAR INDEX; ZUPS;

MOLECULES;

CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; ELECTRON DIFFRACTION; MODEL; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; TECHNIQUE;

EID: 0032897177     PISSN: 01659936     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0165-9936(98)00075-2     Document Type: Article

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