Title: CIIPro: a new read-across portal to fill data gaps using public large-scale chemical and biological data.
Authors: Russo, Daniel P; Kim, Marlene T; Wang, Wenyi; Pinolini, Daniel; Shende, Sunil; Strickland, Judy; Hartung, Thomas; Zhu, Hao
Published In Bioinformatics, (2017 Feb 01)
Abstract: 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
PubMed ID: 28172359
MeSH Terms: Animals; Biosimilar Pharmaceuticals; Computational Biology/methods*; Risk Assessment/methods; Software*; Toxicology/methods*