Toxicity study of allelochemical-like pesticides by a combination of 3D-QSAR, docking, Local Binding Energy (LBE) and GRID approaches

SAR and QSAR in Environmental Research

Volumn 18, Issue 7-8, 2007, Pages 675-692

  Fratev, F ^a   Piparo, E Lo ^a   Benfenati, E ^a   Mihaylova, E ^b  

^a MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

^b UNIVERSITY OF SOFIA   (Bulgaria)

Author keywords

3D QSAR; Allelochemicals; Docking; GRID; LBE; P450

Indexed keywords

BINDING ENERGY; BINDING SITES; COMPUTATIONAL CHEMISTRY; PESTICIDES;

3D-QSAR; ACUTE TOXICITY; ALLELOCHEMICALS; DOCKING; GRID; LOCAL BINDING ENERGY; MECHANISM OF ACTION; PREDICTIVE ABILITIES; REGRESSION MAPS; TOXIC CHEMICALS;

TOXICITY;

RATTUS;

EID: 36448990057     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/10629360701428920     Document Type: Article

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