Nanotoxicity: Analyzing Toxic Nature of Nanomaterials using Computational Modelling
Bhavna Saini, Anju Lata Yadav, Gaurav Aggarwal · 2021 IEEE International Conference on Electronics, Computing and Communication Technologies (CONECCT) · 2021
With the increment in usage of nanomaterials, various hazardous effects on health have come into picture. In nanotechnology, performing experimental testing every time is very costly and time taking, hence prior prediction of toxic nature based on their structural properties can prove significant. QSAR (Quantitative Structure Activity Relationship) is one of the popular computational method to find out the relationship between various properties. The aim of this paper is to find out the influence of chemical bond properties of nanomaterials on its toxic nature, which can affect the human health as well as environment on usage. The paper focuses on linear regression and decision tree methods to find out the same.