How to use the JaqPot Quattro User Interface to create and validate NanoQSAR models

Authors: Georgios Drakakis, C. Chomenidis, G. Tsiliki, E. Anagnostopoulou, P. Doganis, H. Sarimveis, The National Technical University of Athens


This document provides a tutorial for the User Interface (UI) made available by the Jaqpot Quattro (JQ) modelling infrastructure. The resource has been made available at http://www.jaqpot.org/. At this location, users may create datasets containing nanoparticles and properties, apply PMML transformations, create and validate predictive NanoQSAR models and use the models for making predictions. Several other functionalities (optimal experimental design, interlaboratory testing, readacross methods) will be available in the next release of the UI.

You can download the tutorial >> here << or see it in the preview window below.