title: Mapping adverse drug reactions in chemical space.
abstract: We present a novel method to better investigate adverse drug reactions in chemical space. By integrating data sources about adverse drug reactions of drugs with an established cheminformatics modeling method, we generate a data set that is then visualized with a systems biology tool. Thereby new insights into undesired drug effects are gained. In this work, we present a global analysis linking chemical features to adverse drug reactions.
authors.affiliation: Lead Discovery Informatics, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, USA. mail@josef-scheiber.de
authors.forename: Josef
authors.initials: J
authors.lastname: Scheiber
authors.forename: Jeremy L
authors.initials: JL
authors.lastname: Jenkins
authors.forename: Sai Chetan K
authors.initials: SC
authors.lastname: Sukuru
authors.forename: Andreas
authors.initials: A
authors.lastname: Bender
authors.forename: Dmitri
authors.initials: D
authors.lastname: Mikhailov
authors.forename: Mariusz
authors.initials: M
authors.lastname: Milik
authors.forename: Kamal
authors.initials: K
authors.lastname: Azzaoui
authors.forename: Steven
authors.initials: S
authors.lastname: Whitebread
authors.forename: Jacques
authors.initials: J
authors.lastname: Hamon
authors.forename: Laszlo
authors.initials: L
authors.lastname: Urban
authors.forename: Meir
authors.initials: M
authors.lastname: Glick
authors.forename: John W
authors.initials: JW
authors.lastname: Davies
mesh_terms: D000293:Adolescent; D002648:Child; D016208:Databases, Factual; D064420:Drug-Related Side Effects and Adverse Reactions; D006801:Humans; D004364:Pharmaceutical Preparations / Q000737:chemistry*
chemical_list: D004364:Pharmaceutical Preparations