CIIPro: a new read-across portal to fill data gaps using public large-scale chemical and biological data

Daniel P. Russo, Marlene T. Kim, Wenyi Wang, Daniel Pinolini, Sunil Shende, Judy Strickland, Thomas Hartung, Hao Zhu

Research output: Contribution to journalArticle

Abstract

Summary: 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.

Availability and Implementation: ciipro.rutgers.edu.

Contact: danrusso@scarletmail.rutgers.edu or hao.zhu99@rutgers.edu

Original languageEnglish (US)
Pages (from-to)464-466
Number of pages3
JournalBioinformatics (Oxford, England)
Volume33
Issue number3
DOIs
StatePublished - Feb 1 2017

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Target
Risk assessment
Toxicity
Animals
Risk Assessment
Profiling
Availability
Optimise
Testing
Contact
Resources
In Vitro Techniques
Community

ASJC Scopus subject areas

  • Statistics and Probability
  • Biochemistry
  • Molecular Biology
  • Computer Science Applications
  • Computational Theory and Mathematics
  • Computational Mathematics

Cite this

CIIPro : a new read-across portal to fill data gaps using public large-scale chemical and biological data. / Russo, Daniel P.; Kim, Marlene T.; Wang, Wenyi; Pinolini, Daniel; Shende, Sunil; Strickland, Judy; Hartung, Thomas; Zhu, Hao.

In: Bioinformatics (Oxford, England), Vol. 33, No. 3, 01.02.2017, p. 464-466.

Research output: Contribution to journalArticle

Russo, Daniel P. ; Kim, Marlene T. ; Wang, Wenyi ; Pinolini, Daniel ; Shende, Sunil ; Strickland, Judy ; Hartung, Thomas ; Zhu, Hao. / CIIPro : a new read-across portal to fill data gaps using public large-scale chemical and biological data. In: Bioinformatics (Oxford, England). 2017 ; Vol. 33, No. 3. pp. 464-466.
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