20 search results - page 2 / 4 » Prediction of Molecular Bioactivity for Drug Design Using a ... |
ICGA
1997
13 years 6 months ago
1997
Molecular docking software makes computational predictions of the interaction of molecules. This can be useful, for example, in evaluating the binding of candidate drug molecules ...
BMCBI
2010
13 years 5 months ago
2010
Background: Many molecules are flexible and undergo significant shape deformation as part of their function, and yet most existing molecular shape comparison (MSC) methods treat t...
AEI
2006
13 years 5 months ago
2006
Machine Learning algorithms can act as a valuable analytical tool in design research. In this paper, we demonstrate the application of a decision tree learning algorithm for desig...
ICDE
2000
IEEE
14 years 6 months ago
2000
IEEE
Most decision tree classifiers are designed to keep class histograms for single attributes, and to select a particular attribute for the next split using said histograms. In this ...
GECCO
2005
Springer
13 years 10 months ago
2005
Springer
We present a molecular computing algorithm for evolving DNA-encoded genetic programs in a test tube. The use of synthetic DNA molecules combined with biochemical techniques for va...