Services

Jaqpot 5 Computational Platform for In Silico Modelling

Train, deploy and share predictive statistical and machine learning models

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 visualized 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.


Category:
Data Processing & Analysis
Type:
Modelling tool
API Type:
REST under OpenAPI2 specification
Applicability domain:
Risk assessment, Hazard assessment, Exposure assessment
Topic:
Read-across, (Quantitative) structure-activity relationship (SAR / QSAR), Information extraction, Kinetics / biokinetics, Predictive modelling
Targeted industry:
Drugs, Nanotechnology, Chemicals
Targeted users:
Regulators, Data managers, Researchers, Risk assessors, Data modellers
Access type:
Remote

Provided by:
National Technical University of Athens
Licence:
GNU Lesser General Public License 3 (LGPLv3.0)
Login required:
Yes
Implementation status:
Graphical user interface (GUI) available, Containerised, Application programming interface (API) available, Available as web service
Technology readiness level:
TRL 7 – system prototype demonstration in operational environment

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Resources & Training materials

Written tutorial
Jaqpot 5 Tutorial: How to simulate biodistribution scenarios using custom PBPK models
Periklis Tsiros
16 Jan 2020
Abstract:

This document provides a tutorial for simulating biodistribution scenarios using custom PBPK models that have been deployed on Jaqpot5.

Additional materials:
JPQ5_UI_TUTORIAL_NTUA_PBPK.pdf

Target audience: Data providers, Software developers, Data modellers, Regulators, General public, Data owners, Data managers, Students, Researchers, Risk assessors
Open access: yes
Licence: Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)
Organisations involved: NTUA
Written tutorial
Written tutorial
Jaqpot 5 Tutorial: How to deploy a predictive model using the jaqpotpy library
Haralambos Sarimveis
16 Jan 2020
Abstract:

This document provides a tutorial on how to deploy a model in Jaqpot 5 using the jaqpotpy library.


Target audience: Data providers, Software developers, Data modellers, Regulators, General public, Data owners, Data managers, Students, Researchers, Risk assessors
Open access: yes
Licence: Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)
Organisations involved: NTUA
Written tutorial
Written tutorial
Jaqpot 5 Tutorial : How to access and use an existing predictive model
Haralambos Sarimveis
16 Jan 2020
Abstract:

This document provides a tutorial on accessing and using an existing predictive model in Jaqpot5.


Target audience: Data providers, Software developers, Data modellers, Regulators, General public, Data owners, Data managers, Students, Researchers, Risk assessors
Open access: yes
Licence: Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)
Organisations involved: NTUA
Written tutorial
Written tutorial
Jaqpot 5 Tutorial: How to manage and use organisations
Haralambos Sarimveis
16 Jan 2020
Abstract:

This document provides a tutorial on how to create and manage organisations in Jaqpot5.


Target audience: Data providers, Software developers, Data modellers, Regulators, General public, Data owners, Data managers, Students, Researchers, Risk assessors
Open access: yes
Licence: Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)
Organisations involved: NTUA
Written tutorial
Written tutorial
Jaqpot 5 Tutorial : User accounts
Haralambos Sarimveis
16 Jan 2020
Abstract:

This document provides a tutorial for creating a user account for accessing the Jaqpot5 functionalities

Additional materials:
Pdf file containing the tutorial

Target audience: Data providers, Software developers, Data modellers, Regulators, General public, Data owners, Data managers, Students, Researchers, Risk assessors
Open access: yes
Licence: Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)
Organisations involved: NTUA
Written tutorial
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