Structural NanoFingerprint Generation

Identifier:  TFM:1630

Handle: https://hdl.handle.net/20.500.11797/TFM1630

Authors:  Huillca Aparicio, Kevin Andres

Abstract:
The goal of this project is to focus on the development of a publicly accessible website application to aid in the generation of NanoFingerprints, which will later be used to train models for toxicity prediction of different nanocompounds. In this paper a description of the webportal development has been included as well as the different functionalities that form it. The NanoFingerprints generated have been used to train models for toxicity prediction by means of Linear Regression. Models that have shown better performance have been added to the website to provide additional tools aiding for the investigation of nanocompounds.