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Table 9 Accuracy of the multiple regression. The accuracy is given as the number of predictions within a range of the pKexp. For comparison the UHBD + PROPKA combination is added. Figures marked in bold indicate improvements.

From: Benchmarking pKa prediction

TOTAL (242)

    
 

REGRESSION

 

UHBD + PROPKA

 
  

%

 

%

<2

234

96.69

233

96

<1.5

228

94.21

226

93

<1

205

84.71

197

81

<0.5

140

57.85

124

51