Tutorial

Fletoher S 1991 Random assemblies of miorodisk eleotrodes (RAM eleotrodes) for nuoleation studies—a tutorial review Microelectrodes Theory and Applications (Nato ASI Series) ed M I Montenegro, M A Queirds and J L Dasohbaoh (Dordreoht Kluwer)... 

A detailed and comprehensive book on molecular dynamics, with a tutorial approach plus many examples of... 

Geist, A., Beguelin, A., Dongarra, J., Jiang, W., Manchek, R., Sunderam, V. PVM Parallel Virtual Machine A Users Guide and Tutorial for Networked Parallel Computing. MIT Press, Cambridge, Massachusetts, 1994. 

Parallel to that the MDL Molfile format (see the Tutorial in Section 2.4.6) developed at Molecular Design Limited (now MDL Information Systems, Inc.) became a de facto standard file format [50]. 

Besides the MDL Molfile formal, other file formats are often used in chemistry SMILES has already been mentioned in Section 2.3.3. Another one, the PDB file format, is primarily used for storing 3D structure information on biological macromolecules such as proteins and polynucleotides (Tutorial, Section 2.9.7) [52, 53). GIF (Crystallographic Information File) [54, 55] is also a 3D structure information file format with more than three incompatible file versions and is used in crystallography. GIF should not be confused with the Chiron Interchange Formal, which is also extended with. cif. In spectroscopy, JCAMP is apphed as a spectroscopic exchange file format [56]. Here, two modifications can be... 

Figure 2-42. The Morgan Algorithm generates an unambiguous and unique numbering of phenylalanine (see Tutorial, Section 2,S,J,1).

Several tutorials and Help options are available on the home page. 

Most database users do not know how the data are organized in a database system (DBS) they depend solely on the application programs. This is sufficient for most database searches where users can receive large amounts of results quickly and easily, e.g., on literature or other information. Nevertheless, a basic knowledge on where and how to find deeper or more detailed information is quite useful. Due to their complex nature, comprehensive searches (e.g., for processes or patents) are not recommended for beginners. However, most local (in-house), online, and CD-ROM databases provide extensive tutorials and help functions that are specific to the database, and that give a substantial introduction into database searching. 

An introduction to using the Chemical Abstracts System can be found in the tutorial in Section 5.5. 

This tutorial, which is based on the Beilstein update BS0202PR (May, 2002) and on the retrieval program Cro.ssFire Commander V6,. shows. some typical advanced search examples in the Beilstein database. It is assumed that the user already knows some of the basic features of the retrieval program. Moreover, in this tutorial the CrossFire Structure Editor is used instead of the (SIS/Draw Structure Editor. The first example is a combined application of structure aiM fact retrieval, whereas the second example demonstrates reaction retrieval. 

This tutorial describes briefly some of the search capabilities possible with Cheminform RX and MDL" ISIS used as the retrieval system. In this tutorial, the CIRX database. of the years 1992-1996 arc used, containing altogether 334 855 reactions. 

A list of large and smaller search seiwices can he found in Table, 5-b in the tutorial in Section 5.16. 

Neural networks were trained on the basis of these codes to predict chiralit> -dependent properties in enantioselective reactions [42] and in chiral chromatography [43]. A detailed description of the chirality codes is given in the Tutorial in Section 8,6,... 

Tutorial Conformation-Independent and Conformation-Dependent Chirality Codes [34]... 

Tutorial Application of a Kohonen Network for the Classification of Olive Oils using ELECTRAS [9]... 

The usage of a neural network varies depending on the aim and especially on the network type. This tutorial covers two applications on the one hand the usage of a Kohonen network for classification, and on the other hand the prediction of object properties with a counter-propagation network,... 

Tutorial Selection of Relevant Descriptors in a Structure-Activity Study [19]... 

Tutorial Developing Models for Solubility Prediction with 18 Topological Descriptors... 

This study was done because we wanted to see whether 3D descriptors can improve on the models obtained by 2D descriptors. Futhermore, we wanted to use the descriptor set as initially chosen, without any tedious selection of descriptor as reported in the Tutorial in Section 10.1.5.2. 

Tutorial Classifying Compounds into Different Modes of Action... 

The method is incorporated into the CORA (Classification of Organic Reactions for Analysis) system [Sf Here, wc want to illustrate the merits of this approach by an example of its application to a specific problem, the prediction of the regioselec-tivity of a ring closure reaction. This is detailed in the following tutorial. 

Tutorial Modeling the Degradation oFs-Triazine Herbicides in Soil [16]... 

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