12 search results - page 1 / 3 » Computing Bond Types in Molecule Graphs |
COCOON
2009
Springer
14 years 2 months ago
2009
Springer
In this paper, we deal with restoring missing information in molecule databases: Some data formats only store the atoms’ configuration but omit bond multiplicities. As this info...
BMCBI
2011
13 years 2 months ago
2011
Background: In rule-based modeling, graphs are used to represent molecules: a colored vertex represents a component of a molecule, a vertex attribute represents the internal state...
JBI
2004
13 years 8 months ago
2004
Metabolism can be regarded as a network of biochemical reactions, connected via their substrates and products. A metabolic pathway is thus a coordinated series of reactions, and i...
JCC
2007
13 years 7 months ago
2007
: We summarize our contributions on the quest of new planar tetracoordinate carbon entities (new carbon molecules with exotic chemical structures and strange bonding schemes). We g...
DNA
2006
Springer
13 years 11 months ago
2006
Springer
We study the times to grow structures within the tile self-assembly model proposed by Winfree, and the possible shapes that can be achieved. Our earlier work was confined to the g...