Process Informatics Model

There is a current effort to create such a data infrastructure, called Process Informatics Model (PrIMe), with the initial focus on gas-phase chemical reaction kinetics [46]. Starting with the assumption that such a data infrastructure exists, the following strategy is fostered by the framework of SM [47]. 

PrIMe Process Informatics Model, http //www.primekinetics.org/... 

While considerable progress has been made in the area of small molecule informatics over the past several decades, any effort in the field of polymers has been timid at best and there is considerable scope for development. The main reason for the virtual non-existence of polymer informatics is the complex nature of polymers. This review will therefore start with an examination of the particular informatics challenges posed by polymers, in particular in the area of polymer representation and will also discuss some of the peculiarities of polymer information ( the science of information ). It will look at information systems for polymers ( engineering of information systems ) and a final section will review attempts to develop structure-property relationships for polymers ( practice of information processing ). The modeling of polymers either on the molecular - or meso-level - is outside the scope of this review. 

This subsection summarizes the key ideas of IMPROVE on the conceptual level. After a short motivation, we introduce design process innovations from the Engineering and the Informatics side, on which we later base our ideas for novel design support. We then concentrate on the question, how subprocesses of the work-process interact, or how their results are integrated. The formalization of such results is called process/product model, in short PPM. We show that this model has to be layered. Finally, we summarize all the requirements, we can find for such a PPM. 

Ash JE, WarrWA, Willett P (1991) Chemical structure systems computational techniques for representation, searching, and process of structural information. Ellis Horwood, New York Gluck DJ (1964) A chemical structure storage and search systems developed at Du Pont. J Chem Informat Model 5 43-51... 

Smallbone, A.J., Bhave, A., Kraft, M., A, D., McDavid, R. Moving toward establishing more robust and systematic model development for IC engines using process informatics. SAE Paper, 01-0572 (2010)... 

A domain object model is a model that describes key domain concepts and their relationships. Many of these concepts come from tangible objects in the real world of the problem domain. In the chemical informatics space, these are the objects that chemists are dealing with on a daily basis, such as compounds, structures, notebooks, and libraries. The domain analysis model being presented here focuses on those objects that are involved in the compound registration process. 

Sects. 3.1 to 3.4 describe new support concepts for cooperation from the informatics perspective. Are there other forms, not addressed here Also, we find heterogeneous simulation or specific mathematical modeling techniques for evaluating the complete plant, or for regarding specific aspects of plastics processing etc. Are there more application specific tools of that kind Are there even some more tools which have a general character ... 

There is no interdisciplinary joint project on design process modeling and support of a comparable breadth and depth known to the editors. Therefore, the approach and the results of the CRC received broad international recognition in both the chemical engineering and informatics communities. 

Acuna, S. Ferre, X. 2001. Software Process Modeling. Proceedings of the 5th. World Multiconference on Systemics, Cybernetics and Informatics (SCI2001). Orlando Florida 1-6. 

Predicted targets are usually followed up by in vitro experiments that test the prediction for selected compounds, such as representatives of a chemical series. These data can be used to evaluate and improve the current model. A well-designed informatics infrastructure with data normalization must be present in order to automate such a process (c.f. Section 7.3). 

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