Characteristics of nanomaterials: Challenges of theoretical predictions

CHED 1568

Jerzy Leszczynski, jerzy@ccmsi.us, Computational Center for Molecular Structure and Interactions, Jackson State University, 1400 Lynch St, Jackson, MS, MS 39217
This talk highlights the most significant achievements and challenges related to an application of Quantitative Structure – Activity Relationships (QSAR) approach in the risk assessment of nano-size materials. We will review recent advances in the ‘classical' QSAR methodology. The possible ways for the structural characterization of compounds existing in the ‘nano' scale will also be discussed. Also, the applicability of the existing toxicological data for development of QSAR models is evaluated.