21 search results - page 3 / 5 » Chemical bonding: From Lewis to atoms in molecules |
CSB
2005
IEEE
13 years 11 months ago
2005
IEEE
This study shows an effective way to explore and visualize the structure-activity relationships (SARs) of flavonoids with antioxidant activity using structure- activity maps (SAMs...
AE
2005
Springer
13 years 11 months ago
2005
Springer
Ligation is a form of chemical self-assembly that involves dynamic formation of strong covalent bonds in the presence of weak associative forces. We study an extremely simple form ...
COCOON
2003
Springer
13 years 10 months ago
2003
Springer
Drugs and other chemical compounds are often modeled as polygonal shapes, where each vertex represents an atom of the molecule, and covalent bonds between atoms are represented by...
ICML
2004
IEEE
14 years 6 months ago
2004
IEEE
Inductive learning of first-order theory based on examples has serious bottleneck in the enormous hypothesis search space needed, making existing learning approaches perform poorl...
BMCBI
2010
13 years 5 months ago
2010
Background: Finding the subgraphs of a graph database that are isomorphic to a given query graph has practical applications in several fields, from cheminformatics to image unders...