12 search results - page 1 / 3 » Frequent Sub-Structure-Based Approaches for Classifying Chem... |
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...
NAR
2007
13 years 4 months ago
2007
The immune system protects organisms from foreign proteins, peptide epitopes and a multitude of chemical compounds. Among these, haptens are small molecules, eliciting an immune r...
CIBCB
2009
IEEE
13 years 5 months ago
2009
IEEE
Machine Learning techniques are successfully applied to establish quantitative relations between chemical structure and biological activity (QSAR), i.e. classify compounds as activ...
SIGMOD
2004
ACM
14 years 4 months ago
2004
ACM
Graph has become increasingly important in modelling complicated structures and schemaless data such as proteins, chemical compounds, and XML documents. Given a graph query, it is...
DASFAA
2008
IEEE
13 years 11 months ago
2008
IEEE
Graph is an important data structure to model complex structural data, such as chemical compounds, proteins, and XML documents. Among many graph data-based applications, sub-graph ...