Background: Molecular-docking-based virtual screening is an important tool in drug discovery that is used to significantly reduce the number of possible chemical compounds to be i...
Shuxing Zhang, Kamal Kumar, Xiaohui Jiang, Anders ...
The graph classification problem is learning to classify separate, individual graphs in a graph database into two or more categories. A number of algorithms have been introduced fo...
Nikhil S. Ketkar, Lawrence B. Holder, Diane J. Coo...
Background: The functional sites of a protein present important information for determining its cellular function and are fundamental in drug design. Accordingly, accurate methods...
We present a general Multi-Agent System framework for distributed data mining based on a Peer-toPeer model. The framework adopts message-based asynchronous communication and a dyn...
The number of specialized databases in molecular biology is growing fast, as is the availability of molecular data. These trends necessitate the development of automatic methods fo...