Awkt:毛细管区带电泳的理化参数估计工具
Awkt: A Physicochemical Parameter Estimation Tool for Capillary Zone Electrophoresis
摘要:
我们提出了一个计算参数估计工具,旨在协助分子表征应用非线性最小二乘优化的毛细管电泳传输问题的特定封闭形式的解决方案。生成相应物理化学参数的数值估计。除其他功能外,该工具还有助于自动化和用户可控的假设检验和模型选择。它也可以用于在真正的并发模式下执行全自动批处理。
英文摘要:
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.
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