System informatics

We need to transition from quasi-computerized methods, in which the different elements of the analytical process are treated as discrete, paper report tasks, to a comprehensive informatics approach, in which the entire data collection and analysis is considered as a single reusable, extensible, auditable, and reproducible system. Informatics can be defined as the science of storing, manipulating, analyzing, and visualizing information using computer systems. [3]... 

Safety and Runaway Reactions Articles on reactive hazards Institute for Systems Informatics and Safety... 

Papadakis, G.A. and Amendola, A. (eds) (1997) Guidance on the Preparation of the Safety Report to Meet the Requirements of Council Directive 96/82/EC (Seveso II), EUR 17690. European Commission, Joint Research Centre, Institute for Systems, Informatics and Safety, Major Accident Hazards Bureau, Ispra for other aspects of guidance, see Mitchison, N. 

Carcinogens in the Context of Council Directive 96/82/EC, Report by the Technical Working Group 8, Joint Research Centre and European Commission, ISIS, Institute for Systems Informatics and Safety, Seville, Spain, 2000. 

Department of Computational Science, Graduate School of System Informatics, Kobe University, 1-1, Rokkodai, Nada, Kobe 657-8501, Japan... 

The European Commission (EC) continued its fast reactor research activities on the same lines as in the past, but with the main emphasis on partitioning and transmutation (P T) of long-lived radionuclides. The work was carried out by research institutions in the Member States and by the EC Joint Research Centre (IRC) as cost shared actions. The JRC has also been performing its own programme through institutional and competitive research activities. The JRC institutes involved in these studies are the Institute of Systems, Informatics and Safety (ISIS) in Ispra (I), the Institute for Transuranium Elements (TTU) in Karlsruhe (D) and the Institute for Advanced Materials in Petten. 

ChcmWindow is a commercial editor available in the Sadtlcr Suite (Bio-Rad Sadtlcr, formerly SoftSlicll), which contains the additional modules SymApps (3D rendering), Database Building, and KnowltAll Informatics System (the last two arc primarily tools for analysing spectra). 

Immunoinformatics is a newly emergent subdiscipline within the informatic sciences that deals specifically with the unique problems of the immune system. Like bioinformatics, immunoinformatics complements, but never replaces, laboratory experimentation. It allows researchers to address, in a systematic manner, the most important questions in the still highly empirical world of immunology and vaccine discovery. 

Muller H, Michoux N, Bandon D, Geissbuhler A. A review of content-based image retrieval systems in medical applications—clinical benefits and future directions. International Journal of Medical Informatics 2004 73 1-23. 

Obviously a compound registration system is already a fundamental part of the informatics infrastructure for any pharmaceutical company. However, there is a powerful efficiency gain in not having scientists input information twice into different systems the reaction information into the ELN and then the product molecules into the registration system. One would rather have a mechanism of pushing the product molecule information from the ELN to the registration system. The obvious corollary to this is to have the ability to retrieve compound information from the registration system and have it automatically entered into the ELN—an example would be for the scientist to... 

A regularly formed crystal of reasonable size (typically >500 pm in each dimension) is required for X-ray diffraction. Samples of pure protein are screened against a matrix of buffers, additives, or precipitants for conditions under which they form crystals. This can require many thousands of trials and has benefited from increased automation over the past five years. Most large crystallographic laboratories now have robotics systems, and the most sophisticated also automate the visualization of the crystallization experiments, to monitor the appearance of crystalline material. Such developments [e.g., Ref. 1] are adding computer visualization and pattern recognition to the informatics requirements. 

Starting in the 1950s, electrochemical principles have been employed in the development of new technical means for the acquisihon, measurement, storage, transformation, and transfer of various types of informahon. By now many electrochemical devices have been developed for such purposes and are used to build automated systems for the control of production processes, for the automation of geophysical observations and measurements, and for many other purposes. This field, intermediate between electrochemistry, informatics, and electronics, is also known as chemotronics. 

Drug information skills coupled with the processes and technology offered by informatics are part of the solution to mastering information overload and maintaining the knowledge system that improves patient care outcomes. 

Building on the approach that allows optimization of biological systems through evolution, this would let a system produce the optimal new substance, and produce it as a single product rather than as a mixture from which the desired component must be isolated and identified. Self-optimizing systems would allow visionary chemical scientists to use this approach to make new medicines, catalysts, and other important chemical products—in part by combining new approaches to informatics with rapid experimental screening methods. 

Keywords Information systems Machine learning Ontology Polymer markup language Polymer informatics QSPR RDF Semantic web... 

The discipline of informatics can loosely be defined as the science of information and is invariably coupled with both the engineering of information systems and the practice of information processing. For our purposes, this defines the scope of what polymer informatics should be and therefore also the scope of this contribution. 

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. 

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