Software documentation Open Access
Jaqpot 5: How to simulate biodistribution scenarios using custom PBPK models
Haralambos Sarimveis
Contact person(s)
Haralambos Sarimveis;
Pantelis Karatzas;
Philip Doganis
Jaqpot 5 is a user-friendly web-based e-infrastructure that allows model developers to deploy their predictive models and share them through the web. The Jaqpot 5 GUI directs the model developers to further document their models in a way that can be easily understood and used by end-users with little or no experience on machine learning and statistical analysis. The GUI also allows the end-users to apply the models on their own data for validation and/or prediction purposes and the results are collected and visualised in automatically generated tables, graphs and reports. All major machine learning and statistical data-driven algorithms are supported in Jaqpot 5, by integrating popular libraries such as the Python Scikit-learn and the R Caret libraries. Jaqpot 5 has been designed as a generic modelling and machine learning web platform, but particular emphasis is given on serving the needs of the chemo/bio/nano/pharma/ communities by integrating QSAR, biokinetics, dose-response and read-across models. Jaqpot 5 has been developed by the Unit of Process Control and Informatics in the School of Chemical Engineering at the National Technical University of Athens.
This document provides a tutorial for simulating biodistribution scenarios using custom PBPK models that have been deployed on Jaqpot5. The resource has been made available at https://app.jaqpot.org/.
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JPQ5_UI_TUTORIAL_NTUA_PBPK.pdf
md5:9f1d0470a191c793521af49947d2fb41 |
1.3 MB | Download |
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| Views | 284 | 284 |
| Downloads | 170 | 170 |
| Data volume | 217.3 MB | 217.3 MB |
| Unique views | 267 | 267 |
| Unique downloads | 164 | 164 |
- Publication date:
- January 16, 2020
- DOI:
-
- Keyword(s):
- Machine learning Biokinetics ChemInformatics NanoInformatics
- Grants:
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European Commission:
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NanoCommons - The European Nanotechnology Community Informatics Platform: Bridging data and disciplinary gaps for industry and regulators (NanoCommons) (731032)
- OpenRiskNet - OpenRiskNet: Open e-Infrastructure to Support Data Sharing, Knowledge Integration and in silico Analysis and Modelling in Risk Assessment (731075)
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NanoCommons - The European Nanotechnology Community Informatics Platform: Bridging data and disciplinary gaps for industry and regulators (NanoCommons) (731032)
- Communities:
- License (for files):
- Creative Commons Attribution 4.0 International