Three-dimensional holographic vector of atomic interaction field for quantitative structure-activity relationship of Aza-bioisosteres of anthrapyrazoles (Aza-APs)

Journal of Molecular Graphics and Modelling

Volumn 26, Issue 8, 2008, Pages 1252-1258

  Luo nan, Xu ^a,b   Gui Zhao, Liang ^b   Zhi liang, Li ^a,b   Juan, Wang ^a   Peng, Zhou ^a  

^a CHONGQING UNIVERSITY   (China)

^b BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

Aza bioisosteres of anthrapyrazoles (Aza APs); Quantitative structure activity relationship (QSAR); Three dimensional holographic vector of atomic interaction field (3D HoVAIF)

Indexed keywords

COULOMB INTERACTIONS; HYDROPHOBICITY; POTENTIAL ENERGY; STRUCTURE (COMPOSITION); VAN DER WAALS FORCES;

ATOMIC INTERACTION FIELD; BIOISOSTERES; STEPWISE MULTIPLE REGRESSION (SMR);

HOLOGRAPHY;

ANTINEOPLASTIC AGENT; PYRAZOLE DERIVATIVE;

ARTICLE; CORRELATION COEFFICIENT; HOLOGRAPHY; IC 50; METHODOLOGY; MOLECULAR DOCKING; MULTIPLE REGRESSION; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL;

ANTHRACYCLINES; ANTIBIOTICS, ANTINEOPLASTIC; BINDING SITES; DRUG DESIGN; DRUG INTERACTIONS; ELECTROSTATICS; HOLOGRAPHY; HYDROPHOBICITY; INTERCALATING AGENTS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 42749096782     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2007.11.007     Document Type: Article

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