Use of Molecular Similarity Indices for QSAR Training Set Selection

1995 ◽  
Vol 3 (4) ◽  
pp. 279-292 ◽  
Author(s):  
I. T. Cousins ◽  
M. T. D. Cronin ◽  
J. C. Dearden ◽  
C. D. Watts
Author(s):  
Tomasz Kajdanowicz ◽  
Slawomir Plamowski ◽  
Przemyslaw Kazienko

Choosing a proper training set for machine learning tasks is of great importance in complex domain problems. In the paper a new distance measure for training set selection is presented and thoroughly discussed. The distance between two datasets is computed using variance of entropy in groups obtained after clustering. The approach is validated using real domain datasets from debt portfolio valuation process. Eventually, prediction performance is examined.


2017 ◽  
Vol 25 (11) ◽  
pp. 12435 ◽  
Author(s):  
Zhen Liu ◽  
Qiang Liu ◽  
Gui-ai Gao ◽  
Chan Li

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