Neural Network Computer Simulation of Medical Aerosols
Open Access
- 1 June 1996
- journal article
- Published by Oxford University Press (OUP) in Journal of Pharmacy and Pharmacology
- Vol. 48 (6) , 581-591
- https://doi.org/10.1111/j.2042-7158.1996.tb05978.x
Abstract
Preliminary investigations have been conducted to assess the potential for using artificial neural networks to simulate aerosol behaviour, with a view to employing this type of methodology in the evaluation and design of pulmonary drug-delivery systems. Details are presented of the general purpose software developed for these tasks; it implements a feed-forward back-propagation algorithm with weight decay and connection pruning, the user having complete run-time control of the network architecture and mode of training. A series of exploratory investigations is then reported in which different network structures and training strategies are assessed in terms of their ability to simulate known patterns of fluid flow in simple model systems. The first of these involves simulations of cellular automata-generated data for fluid flow through a partially obstructed two-dimensional pipe. The artificial neural networks are shown to be highly successful in simulating the behaviour of this simple linear system, but with important provisos relating to the information content of the training data and the criteria used to judge when the network is properly trained. A second set of investigations is then reported in which similar networks are used to simulate patterns of fluid flow through aerosol generation devices, using training data furnished through rigorous computational fluid dynamics modelling. These more complex three-dimensional systems are modelled with equal success. It is concluded that carefully tailored, well trained networks could provide valuable tools not just for predicting but also for analysing the spatial dynamics of pharmaceutical aerosols.Keywords
This publication has 14 references indexed in Scilit:
- Neural networks: A new method for solving chemical problems or just a passing phase?Published by Elsevier ,2002
- The beauty of molecular surfaces as revealed by self-organizing neural networksJournal of Molecular Graphics, 1994
- Use of a neural network to determine the boiling point of alkanesJournal of the Chemical Society, Faraday Transactions, 1994
- Application of Neural Computing in Pharmaceutical Product Development: Computer Aided Formulation DesignDrug Development and Industrial Pharmacy, 1994
- Application of neural networks for system identification of an adsorption columnNeural Computing & Applications, 1993
- Neural networks in pharmacodynamic modeling. Is current modeling practice of complex kinetic systems at a dead end?Journal of Pharmacokinetics and Biopharmaceutics, 1992
- Neural network studies. 1. Estimation of the aqueous solubility of organic compoundsJournal of the American Chemical Society, 1991
- Applications of neural networks in chemistry. 1. Prediction of electrophilic aromatic substitution reactionsJournal of Chemical Information and Computer Sciences, 1990
- Neural networks applied to pharmaceutical problems. III. Neural networks applied to quantitative structure-activity relationship (QSAR) analysisJournal of Medicinal Chemistry, 1990
- Mathematical models of particle deposition in the human respiratory tractJournal of Aerosol Science, 1984