AVS 60th International Symposium and Exhibition
    Nanoparticle-Liquid Interfaces Focus Topic Thursday Sessions
       Session NL+AS+BI-ThA

Invited Paper NL+AS+BI-ThA3
In Silico Modelling and Prediction of the Biological Effects of Nanoparticles

Thursday, October 31, 2013, 2:40 pm, Room 201 B

Session: Nanoparticles with Proteins and Cells: Modelling and Measurement
Presenter: D.A. Winkler, CSIRO Materials Science & Engineering, Australia
Authors: D.A. Winkler, CSIRO Materials Science & Engineering, Australia
V.C. Epa, CSIRO Materials Science & Engineering, Australia
F.R. Burden, CSIRO Materials Science & Engineering, Australia
C. Tassa, Harvard Medical Center
R. Weissleder, Harvard Medical Center
S. Shaw, Massachusetts General Hospital and Harvard Medical School
Correspondent: Click to Email

Products are increasingly incorporating nanomaterials because of their superior properties. It is estimated that 50,000 products will contain nanomaterials by 2015. However, we have a poor understanding of their potential adverse effects on workers, the public, and the environment. To assess risk, regulatory authorities need more experimental testing of nanoparticles. Computational models play a complementary role to experiments in allowing rapid prediction of potential toxicities of new and modified nanomaterials. We have generated quantitative, predictive models of cellular uptake and apoptosis induced by surface modified metal iron oxide nanoparticles for several cell types using sparse feature selection and optimal machine learning methods. We illustrate the potential of computational methods to make a contribution to nanosafety.