JAQPOT Quattro is the 4th version of a YAQP, a RESTful web service which can be used to train machine learning models and use them to obtain toxicological predictions for given chemical compounds or engineered nano materials. The project is written in Java8 and JEE7.
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Jaqpot Quattro

What is Jaqpot
Jaqpot v4 (Quattro) is a REST application developed under the eNanoMapper project (http://www.enanomapper.net) that supports model training and data preprocessing algorithms such as multiple linear regression, support vector machines, neural networks, an implementation of the leverage algorithm for domain of applicability estimation and various data preprocessing algorithms like PLS and scaling.

How to run Jaqpot using Docker
You can download the Jaqpot docker image and start a container with the following commands:
docker pull jaqpot/jaqpot-core
docker run -d -p 8080:8080 --net="host" jaqpot/jaqpot-core

In order to run Jaqpot core services, a local instance of MongoDB is needed. Jaqpot is configured to find it running on port: 27017 (Mongo default). You can run a MongoDB container with the following commands:
docker pull mongo
docker run -d -p 27017:27017 mongo

After running the containers successfully you can browse Jaqpot API from this url: