Tutorial on a chemical model building by least-squares non-linear regression of multiwavelength spectrophotometric pH-titration data

The thermodynamic dissociation constants of the anticancer drugs camptothecine, 7-ethyl-10-hydroxycamptothecine, 10-hydroxycamptothecine and 7-ethylcamptothecine by the least-squares nonlinear regression of multiwavelength spectrophotometric pH-titration data

The thermodynamic dissociation constants of four non-steroidal anti-inflammatory drugs by the least-squares nonlinear regression of multiwavelength spectrophotometric pH-titration data

Benchmarking and validating algorithms that estimate pK(a) values of drugs based on their molecular structures

A novel computational strategy for the pK(a) estimation of drugs by non-linear regression of multiwavelength spectrophotometric pH-titration data exhibiting small spectral changes