Back close

Bioinformatics and cheminformatics: where do the twain meet?

Publication Type : Journal Article

Thematic Areas : Center for Computational Engineering and Networking (CEN)

Source : Curr Opin Drug Discov Devel, 2008

Url :,shows%20evidence%20of%20this%20convergence.

Campus : Coimbatore

School : School of Engineering

Center : Center for Computational Engineering and Networking, Computational Engineering and Networking

Year : 2008

Abstract : Bridging the domains of cheminformatics and bioinformatics in the post-genomic era requires the convergence of goals, tools, techniques and annotations. This article reviews recent research at the interface of the domains that shows evidence of this convergence. While graph theoretical representations have long been used to develop simple topological descriptions of molecules, graph theory-based network concepts are also widely employed in systems biology. Shape and conformation are important for understanding intermolecular interactions, and several structure-based cheminformatic descriptors have been developed and applied to drug-like molecules and biomolecules. Data fusion methods and shared ontologies can also help integrate data from multiple sources in order to generate a holistic picture of the shared molecular informatics domain.

Cite this Research Publication : N. Sukumar, Michael Krein and Curt M. Breneman, “Bio- and Chem-Informatics: Where do the twain meet?” Curr. Opinion Drug Disc. Devel. 11 (3) 311-319 (May 2008) IF: 4.507

Admissions Apply Now