Introducing Spectral Structure-activity Relationship (SPECTRAL-SAR) and Algebraic Correlation Analysis: Connection with Computational Ecotoxicology

2012 ◽  
pp. 17-42
Keyword(s):  
Correlation Analysis ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Spectral Structure ◽  
Structure Activity

scholarly journals Spectral SAR Ecotoxicology of Ionic Liquids: TheDaphnia magnaCase

2007 ◽  
Vol 2007 ◽  
pp. 1-5 ◽  
Author(s):  
Mihai V. Putz ◽  
Ana-Maria Lacrama ◽  
Vasile Ostafe
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Correlation Analysis ◽  
Daphnia Magna ◽  
Statistical Correlation ◽  
Additive Models ◽  
Activity Relationship ◽  
Spectral Structure ◽  
Unified Theory ◽  
Structure Activity

Aiming to provide a unified theory of ionic liquids ecotoxicity, the recent spectral structure activity relationship (S-SAR) algorithm is employed for testing the two additive models of anionic-cationic interaction containing ionic liquid activity: the causal and the endpoint,|0+〉and|1+〉models, respectively. As a working system, theDaphnia magnaecotoxicity was characterized through the formulated and applied spectral chemical-ecobiological interaction principles. Specific anionic-cationic-ionic-liquid rules of interaction along the developed mechanistic hypersurface map of the main ecotoxicity paths together with the so-called resonance limitation of the standard statistical correlation analysis were revealed.

Structure-activity relationship of (-) mammea A/BB derivatives against Leishmania amazonensis

Planta Medica ◽  
2008 ◽  
Vol 74 (09) ◽  
Author(s):  
MA Brenzan ◽  
CV Nakamura ◽  
BPD Filho ◽  
T Ueda-Nakamura ◽  
MCM Young ◽  
...  
Keyword(s):  
Structure Activity Relationship ◽  
Leishmania Amazonensis ◽  
Activity Relationship ◽  
Structure Activity ◽  
Relationship Of
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