A novel generalized 3D-QSAR model of camptothecin analogs

Molecular Informatics

Volumn 30, Issue 11-12, 2011, Pages 927-938

  Bacilieri, Magdalena ^a   Paoletta, Silvia ^a   Basili, Serena ^a   Fanton, Marco ^a   Moro, Stefano ^a  

^a UNIVERSITY OF PADOVA   (Italy)

Author keywords

3D QSAR; Autocorrelation Molecular Electrostatic Potential (autoMEP); Campt; Conformational analysis; Molecular docking

Indexed keywords

COMPUTATIONAL CHEMISTRY; CONFORMATIONS; THREE DIMENSIONAL COMPUTER GRAPHICS;

3D-QSAR; AUTO CORRELATION; AUTOCORRELATION MOLECULAR ELECTROSTATIC POTENTIAL; CAMPT; CAMPTOTHECIN ANALOGS; CONFORMATIONAL ANALYSIS; MOLECULAR DOCKING; MOLECULAR ELECTROSTATIC POTENTIALS; QSAR MODEL; STATISTIC MODELING;

BODY FLUIDS;

ADRIANACODE; ASA-H; CAMPTOTHECIN; CAMPTOTHECIN DERIVATIVE; CORINA; DNA TOPOISOMERASE INHIBITOR; ESOLV; FASA_H; INTEL CORE2 QUAD LINUX; STERIMOL; TOPOTECAN; UNCLASSIFIED DRUG; UNSCRAMBLER;

ARTICLE; COMPUTER PROGRAM; CRYSTAL STRUCTURE; DRUG CONFORMATION; DRUG STRUCTURE; ENZYME INHIBITION; HUMAN; MOLECULAR DOCKING; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS;

EID: 83455228378     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201100060     Document Type: Article

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