Bioinformatics and cheminformatics: where do the twain meet?

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