Published in:
256. M. Meloun, S. Bordovská, K. Kupka: Outliers detection in the statistical accuracy test of a pKa prediction J. Mathematical Chemistry 47, 891 - 909 (2010).
Input for QCEXPERT* |
Data for an analysis |
Output - Protokol |
Remark: It is recommended the *.xls sets not to display straight but to save them on the disk and then to open.
*Data are readable for computers with QCEXPERT only.
Graphical outputs |
Fig. 1 Diagnostic graphs for identification of outliers (Pallas) |
Fig. 5 Resolution capability of the six diagnostic criteria for outliers |