Results 221 to 230 of about 1,475,907 (268)

Generative Models for Chemical Structures

Journal of Chemical Information and Modeling, 2010
We apply recently developed techniques for pattern recognition to construct a generative model for chemical structure. This approach can be viewed as ligand-based de novo design. We construct a statistical model describing the structural variations present in a set of molecules which may be sampled to generate new structurally similar examples.
White, David, Wilson, Richard C.
openaire   +3 more sources

The Structure of Chemical Particles

Journal of Mathematical Chemistry, 2006
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
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Chemical Structure and Superconductivity

Journal of Chemical Information and Computer Sciences, 1998
Consideration of the chemical bonding topology of the conducting skeletons in the Chevrel phases MMo6S8 and the lanthanide rhodium borides LnRh4B4 indicates that the conducting skeletons consist of networks of edge-localized bonded atoms. These observations suggest that superconductivity is favored when electron mobility is restricted to fewer than ...
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Concepts of the Chemical Structure of Lipid A

Clinical Infectious Diseases, 1984
Lipid A represents the covalently bound lipid component of lipopolysaccharides (LPS), the endotoxins and O antigens of gram-negative bacteria. Lipid A's of endotoxically active LPS consist of a beta(1'----6)-linked D-glucosamine disaccharide that carries phosphoryl groups in positions 1 and 4'.
E T, Rietschel, H W, Wollenweber, R, Russa, H, Brade, U, Zähringer   +4 more
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Chemical Oscillators in Structured Media

Accounts of Chemical Research, 2011
Evolution is a characteristic feature of living systems, and many fundamental processes in life, including the cell cycle, take place in a periodic fashion. From a chemistry perspective, these repeating phenomena suggest the question of whether reactions in which concentrations oscillate could provide a basis and/or useful models for the behavior of ...
Irving R, Epstein, Vladimir K, Vanag, Anna C, Balazs, Olga, Kuksenok, Pratyush, Dayal, Amitabh, Bhattacharya   +5 more
openaire   +2 more sources

Chemical structure of circulin B

Experientia, 1968
Es wird uber die Strukturaufklarung von Circulin B, einem Antibiotikum ausBacillus circulans ATCC 14040, berichtet, dem die Formel des Schemas 2 zukommt.
K, Hayashi, Y, Suketa, T, Suzuki
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A topological characterisation of chemical structures

Zeitschrift für Kristallographie - Crystalline Materials, 1987
The use of Poincaré-Hopf singularity indices for singularities of the electric field on a surface which supports a structural network is shown to yield useful parameters for characterizing the topological characteristics of molecular and crystal structures (the genus of the structure).
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Relating mutagenicity to chemical structure

Journal of Chemical Information and Computer Sciences, 1981
A computer program correlating chemical structure with mutagenesis activity has been developed as a predictive test for hazard evaluation. Sets of substructural units are derived from complete structure, and the probability that a structure containing a given unit will have a designated category of activity is calculated.
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Chemical structure of circulin A

Experientia, 1965
K, Fujikawa, Y, Suketa, K, Hayashi, T, Suzuki   +3 more
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The Chemical Structure of the Periodontium

Journal of Dental Research, 1962
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