Automatic generation of peak-shaped models

Frank Alsmeyer1, Wolfgang Marquardt

  • 1Lehrstuhl für Prozesstechnik, RWTH Aachen, D-52056 Aachen, Germany.

Applied Spectroscopy
|December 12, 2007
PubMed

Related Concept Videos

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving01:29

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...
Model Approaches for Pharmacokinetic Data: Distributed Parameter Models01:06

Model Approaches for Pharmacokinetic Data: Distributed Parameter Models

Pharmacokinetic models are mathematical constructs that represent and predict the time course of drug concentrations in the body, providing meaningful pharmacokinetic parameters. These models are categorized into compartment, physiological, and distributed parameter models.
The distributed parameter models are specifically designed to account for variations and differences in some drug classes. This model is particularly useful for assessing regional concentrations of anticancer or...
Quadratic Models01:23

Quadratic Models

Quadratic models are mathematical representations used to describe relationships in which the rate of change changes at a constant rate. These models appear in a wide variety of natural and engineered systems, especially those involving motion, forces, and optimization. One common application is analyzing the vertical motion of objects influenced by gravity, such as a ball thrown into the air.In such scenarios, the object's height changes over time in a curved pattern, rising to a maximum point...
Mechanistic Models: Compartment Models in Individual and Population Analysis01:23

Mechanistic Models: Compartment Models in Individual and Population Analysis

Mechanistic models are utilized in individual analysis using single-source data, but imperfections arise due to data collection errors, preventing perfect prediction of observed data. The mathematical equation involves known values (Xi), observed concentrations (Ci), measurement errors (εi), model parameters (ϕj), and the related function (ƒi) for i number of values. Different least-squares metrics quantify differences between predicted and observed values. The ordinary least squares (OLS)...
One-Compartment Open Model: Wagner-Nelson and Loo Riegelman Method for ka Estimation01:24

One-Compartment Open Model: Wagner-Nelson and Loo Riegelman Method for ka Estimation

This lesson introduces two critical methods in pharmacokinetics, the Wagner-Nelson and Loo-Riegelman methods, used for estimating the absorption rate constant (ka) for drugs administered via non-intravenous routes. The Wagner-Nelson method relates ka to the plasma concentration derived from the slope of a semilog percent unabsorbed time plot. However, it is limited to drugs with one-compartment kinetics and can be impacted by factors like gastrointestinal motility or enzymatic degradation.
On...
Exponential Equations for Modeling Growth01:26

Exponential Equations for Modeling Growth

Exponential models are essential for describing rapid, multiplicative changes in natural systems, such as population growth. When a population doubles at regular intervals, the process can be modeled using a suitable base. For instance, a bacterial culture that doubles every three hours follows the model n(t)=n0⋅2t/3, where n(t) is the population at the time t.A more general model uses the natural base e, especially for continuous growth. This takes the form n(t)=n0⋅ert, where r is the relative...