12 search results - page 1 / 3 » Computing Bond Types in Molecule Graphs |
COCOON
2009
Springer
13 years 11 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
12 years 11 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 6 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 4 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 8 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...