Marvin space

JChem Marvin KNIME extensions are also available [22]. The modules allow researchers to handle chemical structure data using ChemAxon s software tools such as Marvin, JChem and Standardizer within the open-source KNIME workflow environment. The KNIME platform provides a modular environment to visually create data flows, analyse and build predictive models. The JChem Extensions contain some nodes that are free of charge for general use. These nodes are called Marvin Family Nodes which include a set of nodes for structure conversion, Marvin Sketch , Marvin View and Marvin Space which offer sophisticated rendering capabilities for chemical structures. 

Figure 2.33. A fragment analysis application developed by AstraZeneca by integrating Fragmenter and Marvin in Spotfire. The application provides integrated views on hit frequencies of the fragments from a library in various targeted compound collection spaces. The structure and hit frequencies for the fragments are displayed in the lower-right corner while the user can interactively click one fragment dot or select a set of fragments. This screenshot is provided by Paul Xie of AstraZeneca...

However, the diamond Dg is not unique out of the classical structure, showing all-hexagonal rings of sp carbon atoms in a cubic network (space group Fd3m), there is Lonsdaleite (Frondel and Marvin 1967 He et al. 2002) a rare stone of pure carbon discovered at Meteor Crater, Arizona, in 1967 and also several hypothetical diamond-like networks (Sunada 2008 Diudea et al. 2010). The Lonsdaleite hexagonal network (space group P6 lmmc) is illustrated in Fig. 11.2. 

Markush stmcmres can be enumerated efficiently irsing command line options. The cottunand line syntax is >cxcalc randottunarkushenirmerations -f sdf -C 2 t5000 filename.mol and the output can also be piped to Marvin dew. In the current version of the program. Instant JChem can be used to determine the Markush space density of a patent molecule. 

From the Marvin-Oser theory, the location of the maximum in J" on the frequency scale can also be related to entanglement parameters. However, both Me and Me are involved the frequency at the maximum is independent of M (if sufficiently high) but is inversely proportional to MeMc- The maximum in G" occurs at a frequency which is proportional to Mc/Me and hence is essentially independent of the entanglement spacing, though it is inversely proportional to A/. ... 

Graham, S., Marvin, S. (1996). Telecommunications and the city Electronic spaces, urban places. New York Routledge. 

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