Published in:
194. M. Meloun, S. Bordovská, T. Syrový: A novel computational strategy for the pKa estimation of drugs by the non-linear regression of multiwavelength spectrophotometric pH-titration data exhibiting small changes in spectra, J. Phys. Org. Chem. 20 (2007) 690 – 701.
Drug (jpg) |
Input for SPECFIT (csv) |
Data for an analysis (xls) |
SPECFIT output (txt) |
Graphical output (jpg) |
Remark: It is recommended the *.xls sets not to display straight but to save them on the disk and then to open.