Systems chemical biology

Systems chemical biology.

The increasing availability of data related to genes, proteins and their modulation by small molecules has provided a vast amount of biological information leading to the emergence of systems biology and the broad use of simulation tools for data analysis. However, there is a critical need to develop cheminformatics tools that can integrate chemical knowledge with these biological databases and...

Chemical Reaction Systems, Computer Algebra and Systems Biology - (Invited Talk)

Chem2Bio2RDF Dashboard: Ranking Semantic Associations in Systems Chemical Biology Space

Semantic Web technology has had a significant impact in scientific collaboration as it provides a common platform to integrate heterogeneous data sources and reasoning capabilities for knowledge discovery. In the biomedical science domain, more and more data providers are providing data in formats that are readily converted to Semantic Web formats, and this has resulted in some early initiative...

Modeling Drug- and Chemical-Induced Hepatotoxicity with Systems Biology Approaches

We provide an overview of computational systems biology approaches as applied to the study of chemical- and drug-induced toxicity. The concept of "toxicity pathways" is described in the context of the 2007 US National Academies of Science report, "Toxicity testing in the 21st Century: A Vision and A Strategy." Pathway mapping and modeling based on network biology concepts are a key component of...

Chemical Biology/ Chemical Genetics/ Chemical Genomics: Importance of Chemical Library

A new field of science, chemical biology/ chemical genetics/ chemical genomics (cb/cg/cg) has emerged since the late 1990's, especially in the United States. The NIH Roadmap agenda, Molecular Libraries Screening Center Network (MLSCN), became a drive force to push cb/cg/cg forward. Cb/cg/cg studies consist of three methodologies, chemical libraries with small molecules, high-throughput screenin...