Quantitative structure - Property relationship modeling of β-cyclodextrin complexation free energies

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 2, 2004, Pages 529-541

  Katritzky, Alan R ^a   Fara, Dan C ^a,b   Yang, Hongfang ^a   Karelson, Mati ^b   Suzuki, Takahiro ^c   Solov'ev, Vitaly P ^d   Varnek A , Alexandre ^e  

^a University of Florida ^*  (United States)

^b UNIVERSITY OF TARTU   (Estonia)

^c TOYO UNIVERSITY   (Japan)

^d INSTITUTE OF PHYSIOLOGICALLY ACTIVE COMPOUNDS   (Russian Federation)

^e UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CALCULATIONS; COMPLEXATION; CRYSTALLINE MATERIALS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULES;

COMPUTATIONAL CHEMISTRY; CYCLODEXTRIN;

OLIGOMERS;

BETA CYCLODEXTRIN; BETA CYCLODEXTRIN DERIVATIVE;

ARTICLE; ARTIFICIAL INTELLIGENCE; BIOLOGY; CHEMICAL MODEL; CHEMISTRY; ENERGY TRANSFER; PHYSICAL CHEMISTRY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM THEORY; REGRESSION ANALYSIS; REPRODUCIBILITY;

ARTIFICIAL INTELLIGENCE; BETA-CYCLODEXTRINS; CHEMISTRY, PHYSICAL; COMPUTATIONAL BIOLOGY; ENERGY TRANSFER; MODELS, CHEMICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUANTUM THEORY; REGRESSION ANALYSIS; REPRODUCIBILITY OF RESULTS;

EID: 1842639312     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci034190j     Document Type: Article

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