Select substances, properties and descriptors.
Validate model using different validation options.
Train a model or make a prediction.
Optimise the design of the experiments.
Iterative Experimental Design
Perform statistical laboratory quality control.
Interlaboratory Proficiency Testing
Make a prediction based on the read across method on an existing dataset.
This project has received funding from the European Union's Seventh Framework Programme for research, technological development and demonstration under grant agreement no 604134.
School of Chemical Engineering
National Technical University of Athens