Tutorial Authors: Georgios Drakakis, C. Chomenidis, G. Tsiliki, E. Anagnostopoulou, P. Doganis, H. Sarimveis, The The National Technical University of Athens.
This is a second tutorial for all the supplementary functionalities of the User Interface (UI) added to the Jaqpot Quattro (JQ) modelling infrastructure. The JQ resource can be found at http://www.jaqpot.org/. As described in the first tutorial document, at this location users can already create datasets containing nanoparticles and properties, apply PMML transformations, create and validate predictive NanoQSAR models and use the models for making predictions. In the second release of JQ, which corresponds to this document, users may additionally perform optimal experimental design, interlaboratory comparisons and make read across predictions.