CIIPro: a new read-across portal to fill data gaps using public large-scale chemical and biological data.
We have developed a public Chemical In vitro–In vivo Profiling (CIIPro) portal, which can automatically extract in vitro biological data from public resources (i.e. PubChem) for user-supplied compounds. For compounds with in vivo target activity data (e.g. animal toxicity testing results), the integrated cheminformatics algorithm will optimize the extracted biological data using in vitro–in vivo correlations. The resulting in vitro biological data for target compounds can be used for read-across risk assessment of target compounds. Additionally, the CIIPro portal can identify the most similar compounds based on their optimized bioprofiles. The CIIPro portal provides new powerful assessment capabilities to the scientific community and can be easily integrated with other cheminformatics tools.



ciipro.rutgers.edu.



danrusso@scarletmail.rutgers.edu or hao.zhu99@rutgers.edu
The Rutgers Center for Computational and Integrative Biology, Camden, NJ, USA.
Daniel P
DP
Russo
The Rutgers Center for Computational and Integrative Biology, Camden, NJ, USA.|Department of Chemistry, Rutgers University, Camden, NJ, USA.
Marlene T
MT
Kim
The Rutgers Center for Computational and Integrative Biology, Camden, NJ, USA.
Wenyi
W
Wang
The Rutgers Center for Computational and Integrative Biology, Camden, NJ, USA.
Daniel
D
Pinolini
The Rutgers Center for Computational and Integrative Biology, Camden, NJ, USA.|Department of Computer Science, Rutgers University, Camden, NJ, USA.
Sunil
S
Shende
ILS, Research Triangle Park, NC, USA.
Judy
J
Strickland
Johns Hopkins Bloomberg School of Public Health, Center for Alternatives to Animal Testing (CAAT), Baltimore, MD, USA.|University of Konstanz, CAAT-Europe, Konstanz, Germany.
Thomas
T
Hartung
The Rutgers Center for Computational and Integrative Biology, Camden, NJ, USA.|Department of Chemistry, Rutgers University, Camden, NJ, USA.
Hao
H
Zhu
D000818:Animals; D059451:Biosimilar Pharmaceuticals; D019295:Computational Biology / Q000379:methods*; D018570:Risk Assessment / Q000379:methods; D012984:Software; D014116:Toxicology / Q000379:methods*
D059451:Biosimilar Pharmaceuticals