Data, Information, Knowledge

The real world is one of uncertainty. Suppose we are carrying out a reaction. We have obtained a product. In the beginning we observe a total uncertainty regarding the molecule. We have no information about its composition, the constitution of the skeleton, its stereochemical features, its physical properties, its biological activities, etc. Step by step, by routine experiments, we collect data. When the acquisition of the structural information is complete there is no uncertainty, at least about its structure. Well, we may not have perfect experiments, so this will require us to reserve space for the missing relevant information. However, it is rather more noise than genuine uncertainty, which, by the way, will never be eliminated. 

Chemoinformatics A Textbook. Edited by Johann Gasieiger and Thomas Engel Copyright 2003 Wiley-VCH Verlag GmbH Co. KGaA. 

We are now obtaining an initial idea of what information could be. The information about a real physical system is a measure of decreasing imcertainty of the system by means of some physical (including mental) activities [1]. 

The major task of chemoinformatics is to find these relationships between the data on the molecular structure and the data on the physical, chemical, or biological properties of the molecules. 

Two factors matter most in gaming knowledge from data first, the quality of the data and secondly, the method one applies to the data, and by which one learns from them. 

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At the point a compound is recognized and then considered for potential pharmaceutic or therapeutic usefulness, researchers will be both consumers of and contributors to the data-information-knowledge cycle that characterizes science. Initially, in the synthesis and purification phase of drug development, information about the compound s chemistry and physical properties may be both sought and created. Whether or not the compound has been of interest to other researchers may be determined by searching public records of grant and contract awards and also by searching resources that cover preliminary and early research results. The patent status of the compound may need to be established. 

Experimental Method —> Data —> Information —> Knowledge —> Use Where, experimental method is the procedure used to obtain the experimental data as defined by the law and use is that defined by the law for the toxicity value or class [17]. 

Let us think abont how we can make a first hypothetical approach to what an expert system wonld constitnte. A standard model in the science of knowledge management is the knowledge pyramid, which basically describes the quantitative and logical relationship among data, information, knowledge, and action (please also refer to Fignre 2.1). 

FIGURE 2.1 The relationship among data, information, knowledge, and action is described by the knowledge pyramid. The transition from data to information is performed by calculation, analysis, and interpretation performed by computer software, whereas in the transition from information to knowledge, human interpretation, experience, and intuition play a major role. The final step of reasoning leads to actions to be taken. Amount, context, and patterns can be considered as theoretical factors in contrast to that, real data have to be described by concepts of certainty, probability, and fuzziness. 

Aven, T. 2013 A Conceptual Framework for Linking Risk and the Elements of the Data-Information-Knowledge-Wisdom (DIKW) Hierarchy. Reliability Engineering and System Safety, 111, 30—36. 

HAMSTERS also provides support for representing how particular objects (data, information, knowledge. ..) are related to particular tasks. 

A prototype system framework of PEEE has been developed using Java and Visual Basic as object-oriented programming languages, while SQE server and MS-Access are used as RDBMS for data repository for the plant model elements. Such prototype solution will enable all plant users to utilize a standard user interface to manipulate plant lifecycle data/information/knowledge. The prototype system can be used as the framework to develop CAPE-SAFE as well as other components within PEEE. 

In the endeavor to deepen understanding of chemistry, many an experiment has been performed, and many data have been accumulated. Chapter 6, on databases, gives a vivid picture of the enormous amount of data that have been determined and made accessible. The task is then to derive knowledge from these data by inductive learning. In this context we have to define the terms, data, information, and knowledge, and we do so in a generally accepted manner. 

G. Grethe, Analysis of reaction information, in Handbook of Chemoinformatics -From Data to Knowledge, J. Gasteiger (Ed.), Wiley-VCH, Weinheim, 2003. 

Communication flow Acceptability outside the hierarchy versus adherence to hierarchy The extent to which people are conditioned to seek information, knowledge and views outside the organization Insufficient data currently available to accurately distinguish between countries... 

The earher the information on resource efficiency is used in synthesis design, the more efficient process development wiU be. Therefore, appropriate metrics are initially applied to a choice of literature protocols and prehminary experimental data. As knowledge about the process increases, for example, during scale up, it is successively fed into the mass balance. In addition, environmental impacts associated with the mass balance can be evaluated. 

As discussed and illustrated in the introduction, data analysis can be conveniently viewed in terms of two categories of numeric-numeric manipulation, input and input-output, both of which transform numeric data into more valuable forms of numeric data. Input manipulations map from input data without knowledge of the output variables, generally to transform the input data to a more convenient representation that has unnecessary information removed while retaining the essential information. As presented in Section IV, input-output manipulations relate input variables to numeric output variables for the purpose of predictive modeling and may include an implicit or explicit input transformation step for reducing input dimensionality. When applied to data interpretation, the primary emphasis of input and input-output manipulation is on feature extraction, driving extracted features from the process data toward useful numeric information on plant behaviors. 

Data, information, and knowledge can have short shelf-lives... 

It is therefore not surprising that the interest in PyMS as a typing tool diminished at the turn of the twenty-first century and hence why taxonomists have turned to MS-based methods that use soft ionization methods such as electrospray ionization (ESI-MS) and matrix-assisted laser desorption ionization (MALDI MS). These methods generate information-rich spectra of metabolites and proteins, and because the molecular ion is seen, the potential for biomarker discovery is being realized. The analyses of ESI-MS and MALDI-MS data will still need chemometric methods, and it is hoped that researchers in these areas can look back and learn from the many PyMS studies where machine learning was absolutely necessary to turn the complex pyrolysis MS data into knowledge of bacterial identities. 

Quantitative information about the first coordination sphere structure depends on analysis of EXAFS data. From analytical data or knowledge of common ligands in metalloenzymes (N, O, S, Se), one can decide which ligands are likely to be present in the coordination sphere. An example discussed by Scott4 tests the hypothesis of a Cu(II)-S bond being present in the compound shown in Figure 3.3. 

Collect Chemical Reactivity Data Process Knowledge and Documentation Process Safety Information Identification of Major Hazards... 

Caution Nevertheless, the concerned physician or pharmacist must exercise his or her own expertise and knowledge while prescribing drug(s) to a patient along with these computerized data informations. 

Failure to leverage the institutional knowledge of cross-functional team members While cross-functional coordination has become the standard for the traditional brand planning process, the data/information of these team members are often only... 

The terms data, information, and knowledge are often used interchangeably for diverse purposes by researchers in all scientific disciplines. In the scientific enterprise, however, they are not interchangeable, despite arguments to the contrary. As a matter of fact, Chemometrics, the subject of this Symposium, may spring at least in part from the real... 

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