Comprehensive approach for predicting toxicological effects of ionic liquids on several biological systems using unified descriptors.

ABSTRACT: The challenge and opportunity for design of environmentally-benign ionic liquids (ILs) would start from prediction of their toxicological effects on several endpoints solely based on the structural formulas. Especially, a comprehensive yet simple equation able to predict several biological responses to IL toxicity is of much advantage. Therefore, based on 50 toxicity testing systems on ILs a comprehensively approachable prediction method was developed. For the modelling, approximately 1600 toxicity values measured by several biological systems and an amended linear free energy relationship (LFER) model were used. Since the toxicological activities of an IL could be differently described according to sensitivity of toxicity testing systems, the sensitivity of each of toxicity testing system

SUBMITTER: Cho CW 

PROVIDER: S-EPMC5022054 | biostudies-literature | 2016 Sep

REPOSITORIES: biostudies-literature