Mapping adverse drug reactions in chemical space.
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.
Scheiber
Josef
J
Lead Discovery Informatics, CPC, Novartis Institutes for Biomedical Research, 250 Massachussetts Avenue, Cambridge, Massachusetts 02139, USA. mail@josef-scheiber.de
Jenkins
Jeremy L
JL
Sukuru
Sai Chetan K
SC
Bender
Andreas
A
Mikhailov
Dmitri
D
Milik
Mariusz
M
Azzaoui
Kamal
K
Whitebread
Steven
S
Hamon
Jacques
J
Urban
Laszlo
L
Glick
Meir
M
Davies
John W
JW
D000293:Adolescent; D002648:Child; D016208:Databases, Factual; D064420:Drug-Related Side Effects and Adverse Reactions; D006801:Humans; D004364:Pharmaceutical Preparations / Q000737:chemistry*
D004364:Pharmaceutical Preparations