We present a computational parameter estimation tool aimed at assisting molecule characterization applying nonlinear least-squares optimization to a specific closed-form solution of a capillary electrophoretic transport problem. Numerical estimates for the respective physicochemical parameters are generated. Among other features, the tool facilitates automated and user-controllable hypothesis testing and model selection. It can also be used to perform fully automated batch-processing in true concurrent mode.
@article{arxiv.1706.03561,
title = {Awkt: A Physicochemical Parameter Estimation Tool for Capillary Zone Electrophoresis},
author = {Christian Löffeld},
journal= {arXiv preprint arXiv:1706.03561},
year = {2021}
}