Structure–activity & structure–toxicity relationship study of salinomycin diastereoisomers and their benzoylated derivatives

2016 ◽  
Vol 14 (10) ◽  
pp. 2840-2845 ◽  
Author(s):  
Wenxuan Zhang ◽  
Jun Wu ◽  
Bo Li ◽  
Hongna Wu ◽  
Liu Wang ◽  
...  
Keyword(s):  
Structure Activity ◽  
Activity Structure ◽  
Relationship Study ◽  
Structure Toxicity Relationship ◽  
Toxicity Relationship

The structure–activity and structure–toxicity relationships of salinomycin diastereoisomers and their benzoylated derivatives were investigated.

scholarly journals The Hydractinia echinata Test-System. III: Structure-Toxicity Relationship Study of Some Azo-, Azo-Anilide, and Diazonium Salt Derivatives

Molecules ◽  
2014 ◽  
Vol 19 (7) ◽  
pp. 9798-9817 ◽  
Author(s):  
Sergiu Chicu ◽  
Melania Munteanu ◽  
Ioana Cîtu ◽  
Codruta Şoica ◽  
Cristina Dehelean ◽  
...  
Keyword(s):  
Diazonium Salt ◽  
Test System ◽  
Hydractinia Echinata ◽  
Relationship Study ◽  
Structure Toxicity Relationship ◽  
Toxicity Relationship

Predictive Quantitative Structure Toxicity Relationship Study on Avian Toxicity of Some Diverse Agrochemical Pesticides by Monte Carlo Method

2017 ◽  
Vol 2 (1) ◽  
pp. 19-34 ◽  
Author(s):  
Amit Kumar Halder ◽  
Achintya Saha ◽  
Tarun Jha
Keyword(s):  
Monte Carlo ◽  
Toxicity Data ◽  
Quantitative Structure ◽  
Target Species ◽  
Monte Carlo Optimization ◽  
Relationship Study ◽  
Structure Toxicity Relationship ◽  
External Test ◽  
Toxicity Relationship ◽  
Chemical Pesticides

Application of pesticides may have serious adverse consequences in environment. Birds are one of the most important non-target species that are harmed by agricultural chemical pesticides. In the current study, Monte Carlo optimization based Quantitative Structure Toxicity Relationship (QSTR) analyses were performed on a dataset containing diverse chemical pesticides with toxicity data determined on Bobwhite quail. Hybrid models containing SMILES and graph based descriptors were developed on three different training and test set combinations. The best model was selected based on validation statistics on internal training (n = 96) and external test (n = 31) as well as validation (n=25) sets. The best model was thoroughly analyzed to understand structural requirements of the chemical pesticides for higher avian toxicity. The models developed in the current analyses may be useful to design novel less toxic pesticides.

Quantitative structure-activity and toxicity relationship study of CCRF-CEM and RPMI 8402 cell line apoptosis with some anticancer compounds

2017 ◽  
Vol 7-8 ◽  
pp. 8-50 ◽  
Author(s):  
David Ebuka Arthur ◽  
Adamu Uzairu ◽  
Paul Mamza ◽  
Abechi Eyeji Stephen ◽  
Gideon Adamu Shallangwa
Keyword(s):  
Cell Line ◽  
Quantitative Structure ◽  
Anticancer Compounds ◽  
Structure Activity ◽  
Relationship Study ◽  
Toxicity Relationship
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