A Factorial Design To Optimize Cell-Based Drug Discovery Analysis

نویسندگان

  • Bingming Yi
  • Jacqueline M. Hughes-Oliver
  • Lei Zhu
  • S. Stanley Young
چکیده

Drug discovery is dependent on finding a very small number of biologically active or potent compounds among millions of compounds stored in chemical collections. Quantitative structure-activity relationships suggest that potency of a compound is highly related to that compound's chemical makeup or structure. To improve the efficiency of cell-based analysis methods for high throughput screening, where information of a compound's structure is used to predict potency, we consider a number of potentially influential factors in the cell-based approach. A fractional factorial design is implemented to evaluate the effects of these factors, and lift chart results show that the design scheme is able to find conditions that enhance hit rates.

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عنوان ژورنال:
  • Journal of chemical information and computer sciences

دوره 42 5  شماره 

صفحات  -

تاریخ انتشار 2002