title: Systems chemical biology.
abstract: 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 simulation approaches, with the goal of creating systems chemical biology.
authors.affiliation: Division of Biocomputing, MSC11 6145, University of New Mexico School of Medicine, 2703 Frontier NE, Albuquerque, New Mexico 87131, USA. toprea@salud.unm.edu
authors.forename: Tudor I
authors.initials: TI
authors.lastname: Oprea
authors.forename: Alexander
authors.initials: A
authors.lastname: Tropsha
authors.forename: Jean-Loup
authors.initials: JL
authors.lastname: Faulon
authors.forename: Mark D
authors.initials: MD
authors.lastname: Rintoul
mesh_terms: D000818:Animals; D001681:Biological Assay / Q000379:methods; D002468:Cell Physiological Phenomena; D019295:Computational Biology / Q000379:methods*; D016208:Databases, Factual; D015195:Drug Design; D023281:Genomics; D006801:Humans; D008956:Models, Chemical; D008958:Models, Molecular; D008967:Molecular Biology; D019151:Peptide Library; D040901:Proteomics / Q000379:methods; D012106:Research / Q000639:trends; D049490:Systems Biology / Q000295:instrumentation / Q000379:methods*
chemical_list: D019151:Peptide Library