8 search results - page 1 / 2 » Finding Frequent Substructures in Chemical Compounds |
KDD
1998
ACM
13 years 9 months ago
1998
ACM
ICDM
2003
IEEE
13 years 10 months ago
2003
IEEE
In this paper we study the problem of classifying chemical compound datasets. We present a sub-structure-based classification algorithm that decouples the sub-structure discovery...
ICDM
2002
IEEE
13 years 9 months ago
2002
IEEE
We present an algorithm to find fragments in a set of molecules that help to discriminate between different classes of, for instance, activity in a drug discovery context. Instea...
BMCBI
2008
13 years 4 months ago
2008
Background: Drug discovery and chemical biology are exceedingly complex and demanding enterprises. In recent years there are been increasing awareness about the importance of pred...
ICML
2007
IEEE
14 years 5 months ago
2007
IEEE
Graph data such as chemical compounds and XML documents are getting more common in many application domains. A main difficulty of graph data processing lies in the intrinsic high ...