Quantitative structure–activity relationships of xanthen-3-one and xanthen-1,8-dione derivatives and design of new compounds with enhanced antiproliferative activity on HeLa cervical cancer cells

2020 ◽  
pp. 1-11
Author(s):  
Selma Zukić ◽  
Slavica Oljacic ◽  
Katarina Nikolic ◽  
Elma Veljović ◽  
Selma Špirtović-Halilović ◽  
...  
Keyword(s):  
Cervical Cancer ◽  
Cancer Cells ◽  
Antiproliferative Activity ◽  
Quantitative Structure ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Cervical Cancer Cells ◽  
Quantitative Structure Activity Relationships ◽  
New Compounds

The Current Status and Future Applicability of Quantitative Structure–activity Relationships (QSARs) in Predicting Toxicity

2002 ◽  
Vol 30 (2_suppl) ◽  
pp. 81-84 ◽  
Author(s):  
Mark T.D. Cronin
Keyword(s):  
Chemical Structure ◽  
Current Status ◽  
Regulatory Agencies ◽  
Toxicity Data ◽  
Quantitative Structure ◽  
Structure Activity Relationships ◽  
The Poor ◽  
Structure Activity ◽  
Quantitative Structure Activity Relationships ◽  
New Compounds

The current status of quantitative structure–activity relationships (QSARs) in predicting toxicity is assessed. Widespread use of these methods to predict toxicity from chemical structure is possible, both by industry to develop new compounds, and also by regulatory agencies. The current use of QSARs is restricted by the lack of suitable toxicity data available for modelling, the unsuitability of simplistic modelling approaches for the prediction of certain endpoints, and the poor definition and utilisation of the applicability domain of models. Suggestions to resolve these issues are made.

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